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Ethyl 9.cis.,11.trans.-octadecadienoate

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

Ethyl 9.cis.,11.trans.-octadecadienoate
SpectraBase Compound ID HBNIvKUfA70
InChI InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h9-12H,3-8,13-19H2,1-2H3/b10-9+,12-11-
InChIKey ZREKOPQLWZLLHM-PVHUKWJHSA-N
Mol Weight 308.5 g/mol
Molecular Formula C20H36O2
Exact Mass 308.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3fhcfr3CG3X
Name Ethyl 9.cis.,11.trans.-octadecadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.271530397 u
Formula C20H36O2
InChI InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h9-12H,3-8,13-19H2,1-2H3/b10-9+,12-11-
InChIKey ZREKOPQLWZLLHM-PVHUKWJHSA-N
Molecular Weight 308.506 g/mol
SMILES C(C(OCC)=O)CCCCCC\C=C/C=C/CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896647