| SpectraBase Spectrum ID |
AVb9mpbxAYK |
| Name |
4-Tert-butylstyrene oxide; benzene, 1-tert-butyl-4-(epoxyethyl)- |
| 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/c1-12(2,3)10-6-4-9(5-7-10)11-8-13-11/h4-7,11H,8H2,1-3H3 |
| InChIKey |
VBOPOLFIFFXCGW-UHFFFAOYSA-N |
| Molecular Weight |
176.259 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(C)(C)C)C1CO1 |
| Spectrum/Structure Validation Score (Raman) |
0.979481 |
