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1H-Indole-3-butanoic acid, 1,2-dimethyl-
SpectraBase Compound ID 3OcMSJyVsEC
InChI InChI=1S/C14H17NO2/c1-10-11(7-5-9-14(16)17)12-6-3-4-8-13(12)15(10)2/h3-4,6,8H,5,7,9H2,1-2H3,(H,16,17)
InChIKey ZQKRHIPBVIFQQH-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LoYzJTGAOf
Name 1H-Indole-3-butanoic acid, 1,2-dimethyl-
Alternate Name(s) 4-(1,2-dimethyl-1H-indol-3-yl)butanoic acid 4-(1,2-dimethyl-3-indolyl)butanoic acid 4-(1,2-dimethylindol-3-yl)butanoic acid 4-(1,2-Dimethylindol-3-yl)butyric acid
CAS Registry Number 69262-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-10-11(7-5-9-14(16)17)12-6-3-4-8-13(12)15(10)2/h3-4,6,8H,5,7,9H2,1-2H3,(H,16,17)
InChIKey ZQKRHIPBVIFQQH-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES OC(CCCc1c([n](c2c1cccc2)C)C)=O
SPLASH splash10-0a4i-0900000000-2866d27e047cbe7f9768
Source of Spectrum KC-1981-386-0
Wiley ID 1232862