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BENZYL-3-(2-METHOXYCARBONYLETHYL)-4-METHYL-PYRROLE-2-CARBOXYLATE
SpectraBase Compound ID 3saMxAcxg52
InChI InChI=1S/C17H19NO4/c1-12-10-18-16(14(12)8-9-15(19)21-2)17(20)22-11-13-6-4-3-5-7-13/h3-7,10,18H,8-9,11H2,1-2H3
InChIKey LUFXTVBBGSNDMD-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0z3OXRBamx
Name Benzyl 3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 51671-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-12-10-18-16(14(12)8-9-15(19)21-2)17(20)22-11-13-6-4-3-5-7-13/h3-7,10,18H,8-9,11H2,1-2H3
InChIKey LUFXTVBBGSNDMD-UHFFFAOYSA-N
Molecular Weight 301.342 g/mol
SMILES [nH]1c(c(c(c1)C)CCC(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-0udi-0019000000-fabce425b2e34d02d9d0
Source of Spectrum KC-1985-1703-21
Synonyms 3-(2-Methoxycarbonylethyl)-4-methyl-1H-pyrrole-2-carboxylic acid, benzyl ester (phenylmethyl) 3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate 3-(3-Methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester benzyl 3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate 3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid benzyl ester
Wiley ID 1303876