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Hexanoic acid, 3,7-dimethyl-6-octenyl ester

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

Hexanoic acid, 3,7-dimethyl-6-octenyl ester
SpectraBase Compound ID 6QgRBMInOlS
InChI InChI=1S/C16H30O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,15H,5-8,10-13H2,1-4H3
InChIKey KNYRCCKTQMBSFP-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9M0fwbtDGkd
Name Hexanoic acid, 3,7-dimethyl-6-octenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,15H,5-8,10-13H2,1-4H3
InChIKey KNYRCCKTQMBSFP-UHFFFAOYSA-N
Molecular Weight 254.414 g/mol
SMILES C(CCCCC)(=O)OCCC(CCC=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976469