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2-Acetyl-4-[2-(methoxycarbonyl)ethyl]-3-[(methoxycarbonyl)methyl]pyrrole-5-carboxylic acid
SpectraBase Compound ID 4MbLO30RCd8
InChI InChI=1S/C14H17NO7/c1-7(16)12-9(6-11(18)22-3)8(4-5-10(17)21-2)13(15-12)14(19)20/h15H,4-6H2,1-3H3,(H,19,20)
InChIKey GMJXKMUDHFXCQR-UHFFFAOYSA-N
Mol Weight 311.29 g/mol
Molecular Formula C14H17NO7
Exact Mass 311.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fBORFG2SxF
Name 2-Acetyl-4-[2-(methoxycarbonyl)ethyl]-3-[(methoxycarbonyl)methyl]pyrrole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO7
InChI InChI=1S/C14H17NO7/c1-7(16)12-9(6-11(18)22-3)8(4-5-10(17)21-2)13(15-12)14(19)20/h15H,4-6H2,1-3H3,(H,19,20)
InChIKey GMJXKMUDHFXCQR-UHFFFAOYSA-N
Molecular Weight 311.290 g/mol
SMILES [nH]1c(C(=O)O)c(c(c1C(=O)C)CC(=O)OC)CCC(=O)OC
SPLASH splash10-0fb9-0092000000-844936cfd242ef9fc7e9
Source of Spectrum F-48-4706-25
Synonyms 5-Acetyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid
Wiley ID 1312276