CAS No.: 3121-70-8 — 1-Naphthyl butyrate (1-丁酸萘酯)

1. Primary Information

English name:	1-Naphthyl butyrate
CAS No.:	3121-70-8
Molecular formula:	C₁₄H₁₄O₂
Molecular weight:	214.26 g/mol
SMILES:	CCCC(=O)OC1=CC=CC2=CC=CC=C21
Structural class:
Other identifiers:	alpha-naphthyl butyrate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	BR，98%	192	-20℃	in stock	-
Kehua Intelligence	5g	BR，98%	784	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 0 0 0 0 0 0999 V2000 1.0577 -0.4725 -0.9432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 -0.3335 1.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 0.1747 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4568 -0.2210 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 -0.8067 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3201 0.1109 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 0.3912 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8969 1.5402 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7308 -1.5867 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4862 -2.1590 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4308 0.7604 0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -0.2495 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7508 -2.5481 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8766 2.5019 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6991 0.7849 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1409 2.1127 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 -0.7231 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 1.0003 -1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 -0.4964 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0105 1.1961 1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0783 1.8811 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 -1.9139 0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2706 -2.9150 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4261 0.4792 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 -3.6010 0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0927 -0.0143 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 1.6919 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4294 0.9796 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6521 3.5547 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9031 2.8618 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 4 11 2 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 13 2 0 0 0 0 9 22 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 11 16 1 0 0 0 0 11 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

naphthalen-1-yl butanoate

4.2 InChI

InChI=1S/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3

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)

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)