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1H-Pyrrole-3-propanoic acid, 5-carboxy-2-formyl-4-(2-methoxy-2-oxoethyl)-, .alpha.-methyl ester
SpectraBase Compound ID 7ooHOfVTHye
InChI InChI=1S/C13H15NO7/c1-20-10(16)4-3-7-8(5-11(17)21-2)12(13(18)19)14-9(7)6-15/h6,14H,3-5H2,1-2H3,(H,18,19)
InChIKey PMZWDUURCPPUGT-UHFFFAOYSA-N
Mol Weight 297.26 g/mol
Molecular Formula C13H15NO7
Exact Mass 297.084852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DB8LdLMXor
Name 1H-Pyrrole-3-propanoic acid, 5-carboxy-2-formyl-4-(2-methoxy-2-oxoethyl)-, .alpha.-methyl ester
CAS Registry Number 68595-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO7
InChI InChI=1S/C13H15NO7/c1-20-10(16)4-3-7-8(5-11(17)21-2)12(13(18)19)14-9(7)6-15/h6,14H,3-5H2,1-2H3,(H,18,19)
InChIKey PMZWDUURCPPUGT-UHFFFAOYSA-N
Molecular Weight 297.263 g/mol
SMILES [nH]1c(c(c(c1C(=O)O)CC(=O)OC)CCC(=O)OC)C=O
SPLASH splash10-040a-0790000000-c3337882938c51691b05
Source of Spectrum KC-1978-873-0
Synonyms 5-formyl-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid 5-Formyl-4-(2-methoxy carbonylethyl)-3-methoxy carbonylmethylpyrrole-2-carboxylic acid
Wiley ID 1299956