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1-Phenyl-3-methyl-1-butanol

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 Raman

1-Phenyl-3-methyl-1-butanol
SpectraBase Compound ID ZRUe4yt1aK
InChI InChI=1S/C11H16O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKey KWXSTAUVUZAMGW-UHFFFAOYSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JGnOU0KxEX2
Name 1-Phenyl-3-methyl-1-butanol; benzenemethanol, alpha-(2-methylpropyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.120115134 u
Formula C11H16O
InChI InChI=1S/C11H16O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKey KWXSTAUVUZAMGW-UHFFFAOYSA-N
Molecular Weight 164.248 g/mol
SMILES OC(CC(C)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Raman) 0.996399