SpectraBase Spectrum ID |
4k8OvWyP4b5 |
Name |
Benzenemethanol, 4-methyl-.alpha.-(1-methyl-2-propenyl)-, (R*,R*)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
176.120115134 u |
Formula |
C12H16O |
InChI |
InChI=1S/C12H16O/c1-4-10(3)12(13)11-7-5-9(2)6-8-11/h4-8,10,12-13H,1H2,2-3H3 |
InChIKey |
SVRCCXVJDFUITE-UHFFFAOYSA-N |
Molecular Weight |
176.259 g/mol |
SMILES |
CC1=CC=C(C(C(C)C=C)O)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87425 |