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1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-(1-pentenyl)-, phenylmethyl ester
SpectraBase Compound ID DRBh8XSyyq1
InChI InChI=1S/C19H23NO2/c1-4-5-7-12-17-14(2)18(20-15(17)3)19(21)22-13-16-10-8-6-9-11-16/h6-12,20H,4-5,13H2,1-3H3/b12-7-
InChIKey PWZOXTKCVXTTML-GHXNOFRVSA-N
Mol Weight 297.4 g/mol
Molecular Formula C19H23NO2
Exact Mass 297.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wTzCgg0ccx
Name 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-(1-pentenyl)-, phenylmethyl ester
Alternate Name(s) benzyl 3,5-dimethyl-4-[(1Z)-1-pentenyl]-1H-pyrrole-2-carboxylate Benzyl 3-(1-pentenyl)-2,4-dimethylpyrrole-5-carboxylate
CAS Registry Number 69912-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO2
InChI InChI=1S/C19H23NO2/c1-4-5-7-12-17-14(2)18(20-15(17)3)19(21)22-13-16-10-8-6-9-11-16/h6-12,20H,4-5,13H2,1-3H3/b12-7-
InChIKey PWZOXTKCVXTTML-GHXNOFRVSA-N
Molecular Weight 297.398 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)C)\C=C/CCC)C
SPLASH splash10-0292-0490000000-36206ae3aa9aa5179c82
Source of Spectrum J-44-2079-0
Wiley ID 1300317