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Pentanedioic acid, 3-(1E)-1-propen-1-yl-, dimethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Pentanedioic acid, 3-(1E)-1-propen-1-yl-, dimethyl ester
SpectraBase Compound ID AGTesmarMw1
InChI InChI=1S/C10H16O4/c1-4-5-8(6-9(11)13-2)7-10(12)14-3/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKey FIFUYJFORPJPDQ-SNAWJCMRSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DsuWWwlR1Jk
Name Pentanedioic acid, 3-(1E)-1-propen-1-yl-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.104858991 u
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-4-5-8(6-9(11)13-2)7-10(12)14-3/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKey FIFUYJFORPJPDQ-SNAWJCMRSA-N
Molecular Weight 200.234 g/mol
SMILES C(CC(CC(=O)OC)\C=C\C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986302