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indole-1-carboxylic acid

View entire compound with spectra: 1 MS (GC)

indole-1-carboxylic acid
SpectraBase Compound ID 4qVl2l3B9jD
InChI InChI=1S/C9H7NO2/c11-9(12)10-6-5-7-3-1-2-4-8(7)10/h1-6H,(H,11,12)
InChIKey UTWGRMYWDUMKNY-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65433E93AS7
Name indole-1-carboxylic acid
Alternate Name(s) 1-indolecarboxylic acid 1H-indole-1-carboxylic acid
CAS Registry Number 13884-13-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c11-9(12)10-6-5-7-3-1-2-4-8(7)10/h1-6H,(H,11,12)
InChIKey UTWGRMYWDUMKNY-UHFFFAOYSA-N
Molecular Weight 161.160 g/mol
SMILES OC([n]1ccc2ccccc12)=O
SPLASH splash10-014l-4900000000-a731302db8fae421d8f6
Source of Spectrum J-52-3936-1
Wiley ID 1157687