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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 Hrs65wl9Pgv
Name 3-(2-METHOXYCARBONYLETHYL)-4-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID, BENZYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 301.1309
SMILES [nH]1c(c(c(c1)C)CCC(OC)=O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9300000000-46c1c3624c140672815b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany