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2-Eicosen-5-olide

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

2-Eicosen-5-olide
SpectraBase Compound ID C6cqmhuS4QG
InChI InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h15,18-19H,2-14,16-17H2,1H3
InChIKey XHFKKMXWXSWHOZ-UHFFFAOYSA-N
Mol Weight 308.5 g/mol
Molecular Formula C20H36O2
Exact Mass 308.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LeiMqcsYOcG
Name 2-Eicosen-5-olide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.271530397 u
Formula C20H36O2
InChI InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h15,18-19H,2-14,16-17H2,1H3
InChIKey XHFKKMXWXSWHOZ-UHFFFAOYSA-N
Molecular Weight 308.506 g/mol
SMILES C1(C=CCC(O1)CCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823115