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(E,Z)-2,4-Nonadienoic acid, ethyl ester

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

(E,Z)-2,4-Nonadienoic acid, ethyl ester
SpectraBase Compound ID 5kX0PO2KZ1w
InChI InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+
InChIKey MBPMOZCKLKMNFP-UQGDGPGGSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6icqPGRI4kc
Name (E,Z)-2,4-Nonadienoic acid, ethyl ester; 2,4-nonadienoic acid, ethyl ester, (E,Z)-; ethyl trans-2,cis-4-nonadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+
InChIKey MBPMOZCKLKMNFP-UQGDGPGGSA-N
Molecular Weight 182.263 g/mol
SMILES C(\C=C\C=C/CCCC)(OCC)=O
Spectrum/Structure Validation Score (Raman) 0.940637