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(3S,4R,6E,10Z)-3,4,7,11-tetramethyl-1-trideca-6,10-dienol

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

(3S,4R,6E,10Z)-3,4,7,11-tetramethyl-1-trideca-6,10-dienol
SpectraBase Compound ID AFHMdakkYXR
InChI InChI=1S/C17H32O/c1-6-14(2)8-7-9-15(3)10-11-16(4)17(5)12-13-18/h8,10,16-18H,6-7,9,11-13H2,1-5H3/b14-8-,15-10+/t16-,17+/m1/s1
InChIKey TVUFWGLDYDLOND-CMRHPFDRSA-N
Mol Weight 252.4 g/mol
Molecular Formula C17H32O
Exact Mass 252.245316 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KwqvTPCDBhL
Name (3S,4R,6E,10Z)-3,4,7,11-Tetramethyl-1-trideca-6,10-dienol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.245315649 u
Formula C17H32O
InChI InChI=1S/C17H32O/c1-6-14(2)8-7-9-15(3)10-11-16(4)17(5)12-13-18/h8,10,16-18H,6-7,9,11-13H2,1-5H3/b14-8-,15-10+/t16-,17+/m1/s1
InChIKey TVUFWGLDYDLOND-CMRHPFDRSA-N
Molecular Weight 252.442 g/mol
SMILES C(\C(=C\C[C@]([C@](CCO)(C)[H])(C)[H])C)C\C=C/(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841993