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(3E,5E,2R) 2,4-Dimethyl-3,5-heptadien-1-ol

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

(3E,5E,2R) 2,4-Dimethyl-3,5-heptadien-1-ol
SpectraBase Compound ID FHgbNAS5Dfp
InChI InChI=1S/C9H16O/c1-4-5-8(2)6-9(3)7-10/h4-6,9-10H,7H2,1-3H3/b5-4+,8-6+/t9-/m1/s1
InChIKey JCHJHNVDBCIEEZ-ODYYJMNQSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KTLFEXPrpoR
Name (3E,5E,2R) 2,4-Dimethyl-3,5-heptadien-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 140.120115134 u
Formula C9H16O
InChI InChI=1S/C9H16O/c1-4-5-8(2)6-9(3)7-10/h4-6,9-10H,7H2,1-3H3/b5-4+,8-6+/t9-/m1/s1
InChIKey JCHJHNVDBCIEEZ-ODYYJMNQSA-N
Molecular Weight 140.226 g/mol
SMILES C\C=C\C(=C\[C@](CO)(C)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928264