CAS No.: 20289-26-3 — 4-Benzyloxyindole (4-苄氧基吲哚)

1. Primary Information

English name:	4-Benzyloxyindole
CAS No.:	20289-26-3
Molecular formula:	C₁₅H₁₃NO
Molecular weight:	223.27 g/mol
SMILES:	C1=CC=C(C=C1)COC2=CC=CC3=C2C=CN3
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	120	RT	in stock	-
Kehua Intelligence	250mg	99%	30	RT	in stock	-
Kehua Intelligence	1g	99%	74	RT	in stock	-
Kehua Intelligence	5g	99%	264	RT	in stock	-
Kehua Intelligence	25g	99%	904	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 32 0 0 0 0 0 0 0999 V2000 -0.1940 0.6639 0.6121 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 -1.5358 -0.0693 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9437 -0.4154 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2905 -0.2773 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1333 0.7365 0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 -1.7992 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8697 0.9599 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1227 1.1187 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6991 1.9808 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9026 -2.4620 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4485 0.4493 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0464 2.0885 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -0.7373 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4308 1.0102 0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9459 -1.3631 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6706 0.3844 0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9281 -0.8022 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 -2.2617 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8152 -1.7448 -0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7364 0.9457 -1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2446 2.2043 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9187 1.0448 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0943 2.8836 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1597 -3.5090 0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 3.0651 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 -1.1856 -1.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 1.9332 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1461 -2.2875 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4354 0.8206 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8935 -1.2896 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 6 18 1 0 0 0 0 7 12 2 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-phenylmethoxy-1H-indole

4.2 InChI

InChI=1S/C15H13NO/c1-2-5-12(6-3-1)11-17-15-8-4-7-14-13(15)9-10-16-14/h1-10,16H,11H2

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)