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benzyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID FAgxwdCpA5Y
InChI InChI=1S/C16H17NO3/c1-10-14(12(3)18)11(2)17-15(10)16(19)20-9-13-7-5-4-6-8-13/h4-8,17H,9H2,1-3H3
InChIKey DCMOOVZANVKOKC-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99XCHqyPmEy
Name Benzyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Alternate Name(s) (phenylmethyl) 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, benzyl ester
CAS Registry Number 2386-27-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c1-10-14(12(3)18)11(2)17-15(10)16(19)20-9-13-7-5-4-6-8-13/h4-8,17H,9H2,1-3H3
InChIKey DCMOOVZANVKOKC-UHFFFAOYSA-N
Molecular Weight 271.316 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)C)C(=O)C)C
SPLASH splash10-0006-9240000000-03337b8c2479d8fa704c
Source of Spectrum AD-0-2532-0
Wiley ID 1430563