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Pentyl pentadec-11-enoate

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

Pentyl pentadec-11-enoate
SpectraBase Compound ID 1bGhlK0NHIA
InChI InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20(21)22-19-17-6-4-2/h7-8H,3-6,9-19H2,1-2H3/b8-7+
InChIKey OCNJRUIKKDPVLN-BQYQJAHWSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CSxsqYicgC8
Name Pentyl pentadec-11-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.287180462 u
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20(21)22-19-17-6-4-2/h7-8H,3-6,9-19H2,1-2H3/b8-7+
InChIKey OCNJRUIKKDPVLN-BQYQJAHWSA-N
Molecular Weight 310.522 g/mol
SMILES C(=O)(OCCCCC)CCCCCCCCC\C=C\CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957607