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Pentyl palmitoleate

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

Pentyl palmitoleate
SpectraBase Compound ID dileRAsRPW
InChI InChI=1S/C21H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21(22)23-20-18-6-4-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-
InChIKey GKIGSEHOTRQBEV-KHPPLWFESA-N
Mol Weight 324.5 g/mol
Molecular Formula C21H40O2
Exact Mass 324.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6XGcl7rnAl3
Name Pentyl palmitoleate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.302830526 u
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21(22)23-20-18-6-4-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-
InChIKey GKIGSEHOTRQBEV-KHPPLWFESA-N
Molecular Weight 324.549 g/mol
SMILES C(CCCCCCC\C=C/CCCCCC)(=O)OCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952719