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Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 7 MS (GC)

Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
SpectraBase Compound ID C2CSbZks2e2
InChI InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+
InChIKey CVSWGLSBJFKWMW-SDNWHVSQSA-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 6eiE2GeSRIo
Name Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
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/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+
InChIKey CVSWGLSBJFKWMW-SDNWHVSQSA-N
Molecular Weight 238.371 g/mol
SMILES C(CCCC)(OC\C=C/(C)CCC=C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.996107