| SpectraBase Spectrum ID |
2NrBF5WmnQt |
| Name |
5,10-Methanobenzocycloocten-11-one, 5,6,7,8,9,10-hexahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.104465070 u |
| Formula |
C13H14O |
| InChI |
InChI=1S/C13H14O/c14-13-11-7-3-4-8-12(13)10-6-2-1-5-9(10)11/h1-2,5-6,11-12H,3-4,7-8H2/t11-,12+ |
| InChIKey |
LQEVGEGIEDKITI-TXEJJXNPSA-N |
| Molecular Weight |
186.254 g/mol |
| SMILES |
C1([C@@]2(C3=CC=CC=C3[C@]1(CCCC2)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878432 |
