For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-Pyrrole-2,5-dicarboxylic acid, 3-(3-methoxy-3-oxopropyl)-4-methyl-, 2-methyl ester
SpectraBase Compound ID HTOqh7U7MZN
InChI InChI=1S/C12H15NO6/c1-6-7(4-5-8(14)18-2)10(12(17)19-3)13-9(6)11(15)16/h13H,4-5H2,1-3H3,(H,15,16)
InChIKey DFDUZZAAVSZNSH-UHFFFAOYSA-N
Mol Weight 269.25 g/mol
Molecular Formula C12H15NO6
Exact Mass 269.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EtQN6t36NdO
Name 1H-Pyrrole-2,5-dicarboxylic acid, 3-(3-methoxy-3-oxopropyl)-4-methyl-, 2-methyl ester
CAS Registry Number 51671-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO6
InChI InChI=1S/C12H15NO6/c1-6-7(4-5-8(14)18-2)10(12(17)19-3)13-9(6)11(15)16/h13H,4-5H2,1-3H3,(H,15,16)
InChIKey DFDUZZAAVSZNSH-UHFFFAOYSA-N
Molecular Weight 269.253 g/mol
SMILES [nH]1c(c(c(c1C(=O)O)C)CCC(=O)OC)C(=O)OC
SPLASH splash10-0aor-0090000000-8fdaa63322512c6ba160
Source of Spectrum KC-1985-1702-0
Synonyms 2-Methoxycarbonyl-3-(methoxycarbonylethyl)-4-methyl-pyrrole-5-carboxylic acid 5-(methoxycarbonyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid
Wiley ID 1273046