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(E)-Deca-8-en-4,6-diyn-1-yl 3-methylbutanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

(E)-Deca-8-en-4,6-diyn-1-yl 3-methylbutanoate
SpectraBase Compound ID 7PlNj28d9IP
InChI InChI=1S/C15H20O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,14H,10-13H2,1-3H3/b5-4+
InChIKey KWRUHFXUFNAAJG-SNAWJCMRSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5zQ6vaYq4hg
Name (E)-Deca-8-en-4,6-diyn-1-yl 3-methylbutanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,14H,10-13H2,1-3H3/b5-4+
InChIKey KWRUHFXUFNAAJG-SNAWJCMRSA-N
Molecular Weight 232.323 g/mol
SMILES C(CC(C)C)(=O)OCCCC#CC#C\C=C\C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868008