| SpectraBase Spectrum ID |
7RPShFILUnM |
| Name |
3-Ethyl-5,6,8,9-tetrahydrobenzocyclohepten-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.120115134 u |
| Formula |
C13H16O |
| InChI |
InChI=1S/C13H16O/c1-2-10-3-4-11-5-7-13(14)8-6-12(11)9-10/h3-4,9H,2,5-8H2,1H3 |
| InChIKey |
ZDECTAPUAZVKNM-UHFFFAOYSA-N |
| Molecular Weight |
188.270 g/mol |
| SMILES |
C=12C(CCC(CC2)=O)=CC(=CC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903276 |
