CAS No.: 51146-57-7 — (R)-(-)-Ibuprofen ((R)-(-)-Ibuprofen)

1. Primary Information

English name:	(R)-(-)-Ibuprofen
CAS No.:	51146-57-7
Molecular formula:	C₁₃H₁₈O₂
Molecular weight:	206.28 g/mol
SMILES:	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	320	RT	in stock	-
Kehua Intelligence	100mg	97%	120	RT	in stock	-
Kehua Intelligence	250mg	97%	280	RT	in stock	-
Kehua Intelligence	1g	97%	960	RT	in stock	-
Kehua Intelligence	5g	97%	3360	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 33 0 1 0 0 0 0 0999 V2000 -4.4457 -1.0032 0.4113 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4005 -1.9114 0.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9024 -0.4411 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 0.8194 -0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6528 0.7393 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 0.5935 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 0.5152 0.2719 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6076 -0.7760 1.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 -1.6299 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 0.2281 -1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0897 1.1791 0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 0.1549 -1.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 1.1057 1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3736 1.3495 -0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 -0.9233 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 -0.2527 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 1.0242 -1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.6907 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 0.8896 1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 -1.1167 1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7957 0.0879 2.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2659 -1.5849 1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1779 -2.4813 -0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 -1.9688 -0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6494 -1.3895 -1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 -0.1099 -2.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 1.5855 1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.2449 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 1.4534 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0012 2.3792 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3032 0.9294 -1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4356 1.3896 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 -1.9305 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 33 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid

4.2 InChI

InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1

4.3 InChIKey

HEFNNWSXXWATRW-SNVBAGLBSA-N

4.4 Canonical SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

4.5 Isomeric SMILES

C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)