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benzyl 4-[2-(methoxycarbonyl)vinyl]-5-methylpyrrole-2-carboxylate
SpectraBase Compound ID 9iQ2AF9sfFu
InChI InChI=1S/C17H17NO4/c1-12-14(8-9-16(19)21-2)10-15(18-12)17(20)22-11-13-6-4-3-5-7-13/h3-10,18H,11H2,1-2H3/b9-8+
InChIKey MDXCPHOOYDAFLT-CMDGGOBGSA-N
Mol Weight 299.33 g/mol
Molecular Formula C17H17NO4
Exact Mass 299.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LO32n28nzap
Name benzyl 4-[2-(methoxycarbonyl)vinyl]-5-methylpyrrole-2-carboxylate
CAS Registry Number 104834-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO4
InChI InChI=1S/C17H17NO4/c1-12-14(8-9-16(19)21-2)10-15(18-12)17(20)22-11-13-6-4-3-5-7-13/h3-10,18H,11H2,1-2H3/b9-8+
InChIKey MDXCPHOOYDAFLT-CMDGGOBGSA-N
Molecular Weight 299.326 g/mol
SMILES [nH]1c(c(cc1C(OCc1ccccc1)=O)\C=C\C(=O)OC)C
SPLASH splash10-0007-7391000000-7e738be142aeddbd5ab3
Source of Spectrum J-51-4673-30
Synonyms benzyl 4-[(1E)-3-methoxy-3-oxo-1-propenyl]-5-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1302030