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Hexanoic acid, 2-methyloct-5-yn-4-yl ester

View entire compound with spectra: 1 FTIR

Hexanoic acid, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID BPILziksZDP
InChI InChI=1S/C15H26O2/c1-5-7-9-11-15(16)17-14(10-8-6-2)12-13(3)4/h13-14H,5-7,9,11-12H2,1-4H3
InChIKey MUXKWTODTLREAC-UHFFFAOYSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FEyduiC8NQd
Name Hexanoic acid, 2-methyloct-5-yn-4-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.193280075 u
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-5-7-9-11-15(16)17-14(10-8-6-2)12-13(3)4/h13-14H,5-7,9,11-12H2,1-4H3
InChIKey MUXKWTODTLREAC-UHFFFAOYSA-N
Molecular Weight 238.371 g/mol
SMILES CCCCCC(OC(CC(C)C)C#CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933194