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Deca-4,6-diyn-1-yl 3-methylbutanoate

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

Deca-4,6-diyn-1-yl 3-methylbutanoate
SpectraBase Compound ID HYVaUSUHhL0
InChI InChI=1S/C15H22O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-5,10-13H2,1-3H3
InChIKey NVMLEKVHEUTCIU-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KxxYU6Rabr7
Name Deca-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 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-5,10-13H2,1-3H3
InChIKey NVMLEKVHEUTCIU-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(CC(C)C)(=O)OCCCC#CC#CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809645