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Butyl 9,12,15-octadecatrienoate

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

Butyl 9,12,15-octadecatrienoate
SpectraBase Compound ID DwsZSpnRTDF
InChI InChI=1S/C22H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h5,7,9-10,12-13H,3-4,6,8,11,14-21H2,1-2H3/b7-5-,10-9-,13-12-
InChIKey QQNROWCMALTXCD-XQOKXTRKSA-N
Mol Weight 334.5 g/mol
Molecular Formula C22H38O2
Exact Mass 334.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2krcRJApzGD
Name Butyl 9,12,15-octadecatrienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.287180462 u
Formula C22H38O2
InChI InChI=1S/C22H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h5,7,9-10,12-13H,3-4,6,8,11,14-21H2,1-2H3/b7-5-,10-9-,13-12-
InChIKey QQNROWCMALTXCD-XQOKXTRKSA-N
Molecular Weight 334.544 g/mol
SMILES C(C(OCCCC)=O)CCCCCC\C=C/C\C=C/C\C=C/CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927486