SpectraBase Spectrum ID |
4kQi57TZ4Jc |
Name |
Benzenemethanol, .alpha.-cyclopropyl-4-ethyl- |
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/c1-2-9-3-5-10(6-4-9)12(13)11-7-8-11/h3-6,11-13H,2,7-8H2,1H3 |
InChIKey |
QAJOIUSWRDELCI-UHFFFAOYSA-N |
Molecular Weight |
176.259 g/mol |
SMILES |
C1(=CC=C(C=C1)C(C1CC1)O)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886701 |