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3H-Benz[e]indole-2-carboxylic acid
SpectraBase Compound ID 7oXasrwhIWc
InChI InChI=1S/C13H9NO2/c15-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)14-12/h1-7,14H,(H,15,16)
InChIKey PZHFTOALJLZERX-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C13H9NO2
Exact Mass 211.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrzHFiED3TH
Name 3H-Benz[e]indole-2-carboxylic acid
Alternate Name(s) 3H-Benzo[e]indole-2-carboxylic acid
CAS Registry Number 50536-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NO2
InChI InChI=1S/C13H9NO2/c15-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)14-12/h1-7,14H,(H,15,16)
InChIKey PZHFTOALJLZERX-UHFFFAOYSA-N
Molecular Weight 211.220 g/mol
SMILES [nH]1c2ccc3c(c2cc1C(=O)O)cccc3
SPLASH splash10-014i-1900000000-aa934baa704c9bfc6af1
Source of Spectrum X-10-354-0
Wiley ID 26324