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Pentyl linoleate

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

Pentyl linoleate
SpectraBase Compound ID A9sR2TX4PXa
InChI InChI=1S/C23H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-6-4-2/h9-10,12-13H,3-8,11,14-22H2,1-2H3/b10-9-,13-12-
InChIKey RWSPHQOPNBVTAO-UTJQPWESSA-N
Mol Weight 350.6 g/mol
Molecular Formula C23H42O2
Exact Mass 350.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 67fCTjq6Ht6
Name Pentyl linoleate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.318480590 u
Formula C23H42O2
InChI InChI=1S/C23H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-6-4-2/h9-10,12-13H,3-8,11,14-22H2,1-2H3/b10-9-,13-12-
InChIKey RWSPHQOPNBVTAO-UTJQPWESSA-N
Molecular Weight 350.587 g/mol
SMILES C(CCCCCCC\C=C/C\C=C/CCCCC)(=O)OCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97714