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Benzyl alcohol, .alpha.-isobutyl-2,4,5-trimethyl-

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Benzyl alcohol, .alpha.-isobutyl-2,4,5-trimethyl-
SpectraBase Compound ID laWyslCuaI
InChI InChI=1S/C14H22O/c1-9(2)6-14(15)13-8-11(4)10(3)7-12(13)5/h7-9,14-15H,6H2,1-5H3
InChIKey YROFLNGALVMWIP-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID INQmCTS8Sac
Name Benzyl alcohol, .alpha.-isobutyl-2,4,5-trimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
InChI InChI=1S/C14H22O/c1-9(2)6-14(15)13-8-11(4)10(3)7-12(13)5/h7-9,14-15H,6H2,1-5H3
InChIKey YROFLNGALVMWIP-UHFFFAOYSA-N
Molecular Weight 206.329 g/mol
SMILES C(C(O)C1=C(C)C=C(C(=C1)C)C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89026