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(9Z,12Z,15Z)-3,7-Dimethyloct-6-en-1-yl octadeca-9,12,15-trienoate

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

(9Z,12Z,15Z)-3,7-Dimethyloct-6-en-1-yl octadeca-9,12,15-trienoate
SpectraBase Compound ID 1E7CPub48He
InChI InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h6-7,9-10,12-13,21,27H,5,8,11,14-20,22-25H2,1-4H3/b7-6-,10-9-,13-12-
InChIKey UQLOWLBIADBCAU-QNEBEIHSSA-N
Mol Weight 416.7 g/mol
Molecular Formula C28H48O2
Exact Mass 416.365431 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9JksboMuu3V
Name (9Z,12Z,15Z)-3,7-Dimethyloct-6-en-1-yl octadeca-9,12,15-trienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.365430784 u
Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h6-7,9-10,12-13,21,27H,5,8,11,14-20,22-25H2,1-4H3/b7-6-,10-9-,13-12-
InChIKey UQLOWLBIADBCAU-QNEBEIHSSA-N
Molecular Weight 416.690 g/mol
SMILES C(CCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OCCC(CCC=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976942