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2,6-Octadienoic acid, 3-methyl-, methyl ester, (E,Z)-

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

2,6-Octadienoic acid, 3-methyl-, methyl ester, (E,Z)-
SpectraBase Compound ID A846ashltlh
InChI InChI=1S/C10H16O2/c1-4-5-6-7-9(2)8-10(11)12-3/h4-5,8H,6-7H2,1-3H3/b5-4-,9-8+
InChIKey RWHYNJNYAMCNNZ-FTGFODROSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 51oIYAU00pa
Name 2,6-Octadienoic acid, 3-methyl-, methyl ester, (E,Z)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-4-5-6-7-9(2)8-10(11)12-3/h4-5,8H,6-7H2,1-3H3/b5-4-,9-8+
InChIKey RWHYNJNYAMCNNZ-FTGFODROSA-N
Molecular Weight 168.236 g/mol
SMILES COC(=O)\C=C/(C)CC\C=C/C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814277