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(phenylmethyl) 4-ethanoyl-3-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 1Fersw04GHX
InChI InChI=1S/C19H21NO5/c1-12-17(13(2)21)15(9-10-16(22)24-3)18(20-12)19(23)25-11-14-7-5-4-6-8-14/h4-8,20H,9-11H2,1-3H3
InChIKey KLAPGGNCEBMBTK-UHFFFAOYSA-N
Mol Weight 343.38 g/mol
Molecular Formula C19H21NO5
Exact Mass 343.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cNuKbDTbQ3
Name (phenylmethyl) 4-ethanoyl-3-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2-carboxylate
Alternate Name(s) 4-Acetyl-3-(3-keto-3-methoxy-propyl)-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester 4-Acetyl-3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester benzyl 4-acetyl-3-(3-methoxy-3-oxo-propyl)-5-methyl-1H-pyrrole-2-carboxylate Pyrrole-3-propanoic acid, 4-acetyl-2-benzyloxycarbonyl-5-methyl, methyl ester
CAS Registry Number 62916-29-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO5
InChI InChI=1S/C19H21NO5/c1-12-17(13(2)21)15(9-10-16(22)24-3)18(20-12)19(23)25-11-14-7-5-4-6-8-14/h4-8,20H,9-11H2,1-3H3
InChIKey KLAPGGNCEBMBTK-UHFFFAOYSA-N
Molecular Weight 343.379 g/mol
SMILES [nH]1c(c(c(c1C)C(=O)C)CCC(OC)=O)C(=O)OCc1ccccc1
SPLASH splash10-0006-9830000000-4c1cc2379d691945dddc
Wiley ID 1479396