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Dimethyl (2Z,4Z)-2-methylhexa-2,4-diene-1,6-dioate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Dimethyl (2Z,4Z)-2-methylhexa-2,4-diene-1,6-dioate
SpectraBase Compound ID 3JBH1t3tbk1
InChI InChI=1S/C9H12O4/c1-7(9(11)13-3)5-4-6-8(10)12-2/h4-6H,1-3H3/b6-4-,7-5-
InChIKey RORKCJRKDMOOIQ-PEPZGXQESA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7uoBnXRG581
Name Dimethyl (2Z,4Z)-2-methylhexa-2,4-diene-1,6-dioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.073558862 u
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-7(9(11)13-3)5-4-6-8(10)12-2/h4-6H,1-3H3/b6-4-,7-5-
InChIKey RORKCJRKDMOOIQ-PEPZGXQESA-N
Molecular Weight 184.191 g/mol
SMILES C(\C(=C/C=C\C(=O)OC)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978662