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3-[1-(4-chlorobenzyl)-3-methyl-indol-2-yl]-2,2-dimethyl-propionic acid
SpectraBase Compound ID 2zzrs9BIkIT
InChI InChI=1S/C21H22ClNO2/c1-14-17-6-4-5-7-18(17)23(13-15-8-10-16(22)11-9-15)19(14)12-21(2,3)20(24)25/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey LKVQGUGNUBMCCE-UHFFFAOYSA-N
Mol Weight 355.87 g/mol
Molecular Formula C21H22ClNO2
Exact Mass 355.133907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JRU3ykbz0e
Name 3-[1-(4-chlorobenzyl)-3-methyl-indol-2-yl]-2,2-dimethyl-propionic acid
CAS Registry Number 125687-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClNO2
InChI InChI=1S/C21H22ClNO2/c1-14-17-6-4-5-7-18(17)23(13-15-8-10-16(22)11-9-15)19(14)12-21(2,3)20(24)25/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey LKVQGUGNUBMCCE-UHFFFAOYSA-N
Molecular Weight 355.865 g/mol
SMILES OC(C(Cc1[n](c2c(cccc2)c1C)Cc1ccc(cc1)Cl)(C)C)=O
SPLASH splash10-016r-0393000000-419c5cdcfa714e2962f1
Source of Spectrum J-55-2912-3
Synonyms 3-[1-[(4-chlorophenyl)methyl]-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid 3-[1-[(4-chlorophenyl)methyl]-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic acid
Wiley ID 1345311