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B,4-Dimethyl-benzenepropanol

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

B,4-Dimethyl-benzenepropanol
SpectraBase Compound ID 4GXXstX5ViT
InChI InChI=1S/C11H16O/c1-9-3-5-11(6-4-9)7-10(2)8-12/h3-6,10,12H,7-8H2,1-2H3
InChIKey TUKWBYNFHMOXCG-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 Bg7cDblC4jw
Name beta,4-Dimethyl-benzenepropanol; benzenepropanol, beta,4-dimethyl-
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/c1-9-3-5-11(6-4-9)7-10(2)8-12/h3-6,10,12H,7-8H2,1-2H3
InChIKey TUKWBYNFHMOXCG-UHFFFAOYSA-N
Molecular Weight 164.248 g/mol
SMILES OCC(CC1=CC=C(C=C1)C)C
Spectrum/Structure Validation Score (Raman) 0.944695