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1-benzylindole-3-carboxylic acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

1-benzylindole-3-carboxylic acid
SpectraBase Compound ID 7FuK4hI7IDk
InChI InChI=1S/C16H13NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2,(H,18,19)
InChIKey LVYDDRHDOKXFMW-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvNTv7bW7dn
Name 1-Benzyl-1H-indole-3-carboxylic acid
Alternate Name(s) 1H-Indole-3-carboxylic acid, 1-(phenylmethyl)- 1-(Phenylmethyl)-3-indolecarboxylic acid 1-(Phenylmethyl)indole-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2,(H,18,19)
InChIKey LVYDDRHDOKXFMW-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES OC(=O)c1c[n](c2ccccc12)Cc1ccccc1
SPLASH splash10-0006-9120000000-74e5596406bc6d0f4f8d
Source of Spectrum IY-2-4815-2
Wiley ID 1656135