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5,7-Octadien-3-ol, 2,4,4,7-tetramethyl-, (E)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

5,7-Octadien-3-ol, 2,4,4,7-tetramethyl-, (E)-
SpectraBase Compound ID 3hug9o1DhaM
InChI InChI=1S/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7-8,10-11,13H,1H2,2-6H3/b8-7+
InChIKey UMCQKTYQMNTBJK-BQYQJAHWSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4mYOHFfe841
Name 5,7-Octadien-3-ol, 2,4,4,7-tetramethyl-, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.167065327 u
Formula C12H22O
InChI InChI=1S/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7-8,10-11,13H,1H2,2-6H3/b8-7+
InChIKey UMCQKTYQMNTBJK-BQYQJAHWSA-N
Molecular Weight 182.307 g/mol
SMILES C(O)(C(C)C)C(C)(\C=C\C(C)=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955341