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XVXYAGCYQBAFHM-UHFFFAOYSA-N
SpectraBase Compound ID 1SHUb9t5qYu
InChI InChI=1S/C16H17NO3/c1-3-13-11(2)15(17-14(13)9-18)16(19)20-10-12-7-5-4-6-8-12/h4-9,17H,3,10H2,1-2H3
InChIKey XVXYAGCYQBAFHM-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 LVKcR0TYEoi
Name (phenylmethyl) 4-ethyl-5-methanoyl-3-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 965-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c1-3-13-11(2)15(17-14(13)9-18)16(19)20-10-12-7-5-4-6-8-12/h4-9,17H,3,10H2,1-2H3
InChIKey XVXYAGCYQBAFHM-UHFFFAOYSA-N
Molecular Weight 271.316 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)C)CC)C=O
SPLASH splash10-0006-9120000000-9c46c270564728190185
Source of Spectrum KC-1986-1572-11
Synonyms 4-Ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester 4-Ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester benzyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1275346