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Ethyl 3,5-dimethyl-4-(3-phenylpropanoyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID D40ZBQksmSE
InChI InChI=1S/C18H21NO3/c1-4-22-18(21)17-12(2)16(13(3)19-17)15(20)11-10-14-8-6-5-7-9-14/h5-9,19H,4,10-11H2,1-3H3
InChIKey DIAXWMTZFCCGDC-UHFFFAOYSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NrvBwIWFHs
Name Ethyl 3,5-dimethyl-4-(3-phenylpropanoyl)-1H-pyrrole-2-carboxylate
Alternate Name(s) 3,5-Dimethyl-4-(1-oxo-3-phenylpropyl)-1H-pyrrole-2-carboxylic acid ethyl ester 4-Hydrocinnamoyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-(1-oxo-3-phenylpropyl)-, ethyl ester
CAS Registry Number 311766-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-4-22-18(21)17-12(2)16(13(3)19-17)15(20)11-10-14-8-6-5-7-9-14/h5-9,19H,4,10-11H2,1-3H3
InChIKey DIAXWMTZFCCGDC-UHFFFAOYSA-N
Molecular Weight 299.370 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)C)C(=O)CCc1ccccc1)C
SPLASH splash10-0005-2910000000-a6fc97a4ce84fc47cb98
Source of Spectrum AD-0-2532-0
Wiley ID 1430013