| SpectraBase Spectrum ID |
LXWjO6jDO9q |
| Name |
1-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-3-yl)ethanone |
| 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/c1-10(14)12-8-7-11-5-3-2-4-6-13(11)9-12/h7-9H,2-6H2,1H3 |
| InChIKey |
ORFOZCMRNPHBMF-UHFFFAOYSA-N |
| Molecular Weight |
188.270 g/mol |
| SMILES |
C=1(C=C2CCCCCC2=CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944045 |
