| SpectraBase Spectrum ID |
CkmNo1sWx7j |
| Name |
8-Isopropyl-1,3,4,5-tetrahydro-2-benzoxepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.135765199 u |
| Formula |
C13H18O |
| InChI |
InChI=1S/C13H18O/c1-10(2)12-6-5-11-4-3-7-14-9-13(11)8-12/h5-6,8,10H,3-4,7,9H2,1-2H3 |
| InChIKey |
ONPJBPJXJLCQLS-UHFFFAOYSA-N |
| Molecular Weight |
190.286 g/mol |
| SMILES |
C=1C(=CC=C2C1COCCC2)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950203 |
