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Undecenyl tiglate, 2E-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Undecenyl tiglate, 2E-
SpectraBase Compound ID LWDmsCOCqtw
InChI InChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-13-14-18-16(17)15(3)5-2/h5,12-13H,4,6-11,14H2,1-3H3/b13-12+,15-5+
InChIKey WLRUABOBSSGBFR-UGLIDWPASA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BHcrxTC5CTm
Name Undecenyl tiglate, 2E-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.208930140 u
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-13-14-18-16(17)15(3)5-2/h5,12-13H,4,6-11,14H2,1-3H3/b13-12+,15-5+
InChIKey WLRUABOBSSGBFR-UGLIDWPASA-N
Molecular Weight 252.398 g/mol
SMILES C(OC\C=C\CCCCCCCC)(\C(=C\C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921338