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(3E)-3'-Methyloct-6'-ynyl dec-3-en-8-ynoate

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

(3E)-3'-Methyloct-6'-ynyl dec-3-en-8-ynoate
SpectraBase Compound ID Lc5sMWVkc0q
InChI InChI=1S/C19H28O2/c1-4-6-8-9-10-11-13-15-19(20)21-17-16-18(3)14-12-7-5-2/h11,13,18H,8-10,12,14-17H2,1-3H3/b13-11+
InChIKey SOXJZFHZWQEESB-ACCUITESSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JoBdM4pmEcm
Name (3E)-3'-Methyloct-6'-ynyl dec-3-en-8-ynoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-4-6-8-9-10-11-13-15-19(20)21-17-16-18(3)14-12-7-5-2/h11,13,18H,8-10,12,14-17H2,1-3H3/b13-11+
InChIKey SOXJZFHZWQEESB-ACCUITESSA-N
SMILES C(#CCCC\C=C\CC(=O)OCCC(CCC#CC)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867616