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Citronellyl palmitoleate

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

Citronellyl palmitoleate
SpectraBase Compound ID CpKyExKaIsJ
InChI InChI=1S/C26H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(27)28-23-22-25(4)20-18-19-24(2)3/h10-11,19,25H,5-9,12-18,20-23H2,1-4H3/b11-10-
InChIKey ZHXFNDSMLZVRDU-KHPPLWFESA-N
Mol Weight 392.7 g/mol
Molecular Formula C26H48O2
Exact Mass 392.365431 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gw3pJEB5piI
Name Citronellyl palmitoleate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.365430784 u
Formula C26H48O2
InChI InChI=1S/C26H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(27)28-23-22-25(4)20-18-19-24(2)3/h10-11,19,25H,5-9,12-18,20-23H2,1-4H3/b11-10-
InChIKey ZHXFNDSMLZVRDU-KHPPLWFESA-N
Molecular Weight 392.668 g/mol
SMILES C(CCCCCCC\C=C/CCCCCC)(=O)OCCC(C)CCC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968682