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n-Octacos-9-enyl propionate

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

n-Octacos-9-enyl propionate
SpectraBase Compound ID Le4oJReJksC
InChI InChI=1S/C31H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-31(32)4-2/h21-22H,3-20,23-30H2,1-2H3/b22-21+
InChIKey VGOCQBQEJLONFQ-QURGRASLSA-N
Mol Weight 464.8 g/mol
Molecular Formula C31H60O2
Exact Mass 464.459331 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KkK6Lek9b6Q
Name N-Octacos-9-enyl propionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.459331170 u
Formula C31H60O2
InChI InChI=1S/C31H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-31(32)4-2/h21-22H,3-20,23-30H2,1-2H3/b22-21+
InChIKey VGOCQBQEJLONFQ-QURGRASLSA-N
Molecular Weight 464.819 g/mol
SMILES C(CC)(=O)OCCCCCCCC\C=C\CCCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961542