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N-Propyl 9,12-hexadecadienoate

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

N-Propyl 9,12-hexadecadienoate
SpectraBase Compound ID 8TsLCBpQPhc
InChI InChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h6-7,9-10H,3-5,8,11-18H2,1-2H3/b7-6-,10-9-
InChIKey ZWJZACIXBOTFLS-HZJYTTRNSA-N
Mol Weight 294.5 g/mol
Molecular Formula C19H34O2
Exact Mass 294.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9vrudYdM9ef
Name N-Propyl 9,12-hexadecadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.255880333 u
Formula C19H34O2
InChI InChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h6-7,9-10H,3-5,8,11-18H2,1-2H3/b7-6-,10-9-
InChIKey ZWJZACIXBOTFLS-HZJYTTRNSA-N
SMILES C(C(OCCC)=O)CCCCCC\C=C/C\C=C/CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981481