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benzyl 4-formyl-5-methyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 9YmNHEC9SkD
InChI InChI=1S/C14H13NO3/c1-10-12(8-16)7-13(15-10)14(17)18-9-11-5-3-2-4-6-11/h2-8,15H,9H2,1H3
InChIKey PDMKGAROQSFMPD-UHFFFAOYSA-N
Mol Weight 243.26 g/mol
Molecular Formula C14H13NO3
Exact Mass 243.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMape4gdhKy
Name benzyl 4-formyl-5-methyl-1H-pyrrole-2-carboxylate
Alternate Name(s) 4-formyl-5-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester (phenylmethyl) 4-methanoyl-5-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 89909-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO3
InChI InChI=1S/C14H13NO3/c1-10-12(8-16)7-13(15-10)14(17)18-9-11-5-3-2-4-6-11/h2-8,15H,9H2,1H3
InChIKey PDMKGAROQSFMPD-UHFFFAOYSA-N
Molecular Weight 243.262 g/mol
SMILES [nH]1c(c(cc1C(OCc1ccccc1)=O)C=O)C
SPLASH splash10-0006-7970000000-6473cc14ef9cfeaa89e0
Source of Spectrum J-51-4673-29
Wiley ID 1246084