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trans,trans-1-Phenyl-3-pyrrol-1-ylindan-2-carboxylic acid

View entire compound with spectra: 1 MS (GC)

trans,trans-1-Phenyl-3-pyrrol-1-ylindan-2-carboxylic acid
SpectraBase Compound ID CZ9AdKyxGyy
InChI InChI=1S/C20H17NO2/c22-20(23)18-17(14-8-2-1-3-9-14)15-10-4-5-11-16(15)19(18)21-12-6-7-13-21/h1-13,17-19H,(H,22,23)/t17-,18+,19+/m0/s1
InChIKey FWRPVFVJPDOHCV-IPMKNSEASA-N
Mol Weight 303.36 g/mol
Molecular Formula C20H17NO2
Exact Mass 303.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tkoxtH3LTZ
Name trans,trans-1-Phenyl-3-pyrrol-1-ylindan-2-carboxylic acid
Alternate Name(s) (1S,2R,3S)-1-phenyl-3-(1H-pyrrol-1-yl)-2,3-dihydro-1H-indene-2-carboxylic acid 1-Phenyl-3-pyrrol-1-ylindan-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO2
InChI InChI=1S/C20H17NO2/c22-20(23)18-17(14-8-2-1-3-9-14)15-10-4-5-11-16(15)19(18)21-12-6-7-13-21/h1-13,17-19H,(H,22,23)/t17-,18+,19+/m0/s1
InChIKey FWRPVFVJPDOHCV-IPMKNSEASA-N
Molecular Weight 303.361 g/mol
SMILES OC([C@]1([C@@](c2ccccc2[C@@]1(c1ccccc1)[H])([n]1cccc1)[H])[H])=O
SPLASH splash10-0udi-0319000000-5076f1ca13299f6ee714
Source of Spectrum HE-1999-1264-2
Wiley ID 1613498