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10-Undecenoic acid dec-9-enyl ester

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

10-Undecenoic acid dec-9-enyl ester
SpectraBase Compound ID 7WNLJAVM0SE
InChI InChI=1S/C21H38O2/c1-3-5-7-9-11-13-15-17-19-21(22)23-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-20H2
InChIKey BBZYYBODTXMIMD-UHFFFAOYSA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H38O2
Exact Mass 322.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DyLNw0oXfeP
Name 10-Undecenoic acid dec-9-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.287180462 u
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-3-5-7-9-11-13-15-17-19-21(22)23-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-20H2
InChIKey BBZYYBODTXMIMD-UHFFFAOYSA-N
Molecular Weight 322.533 g/mol
SMILES C(=O)(OCCCCCCCCC=C)CCCCCCCCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883356