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Dodecanoic acid, 5-hexen-1-yl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Dodecanoic acid, 5-hexen-1-yl ester
SpectraBase Compound ID Dpmtr7SLJZo
InChI InChI=1S/C18H34O2/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h4H,2-3,5-17H2,1H3
InChIKey WWDWGGDVSUHZAJ-UHFFFAOYSA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FRbTG4zV4BG
Name Dodecanoic acid, 5-hexen-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.255880333 u
Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h4H,2-3,5-17H2,1H3
InChIKey WWDWGGDVSUHZAJ-UHFFFAOYSA-N
Molecular Weight 282.468 g/mol
SMILES C(=O)(CCCCCCCCCCC)OCCCCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939836