| SpectraBase Compound ID | t0N73HH9wl |
|---|---|
| InChI | InChI=1S/C13H12O/c1-9-7-11-5-3-4-6-12(11)8-10(2)13(9)14/h3-8H,1-2H3 |
| InChIKey | YVBMXGVGOLXFFS-UHFFFAOYSA-N |
| Mol Weight | 184.24 g/mol |
| Molecular Formula | C13H12O |
| Exact Mass | 184.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BPkoZRNGReW |
|---|---|
| Name | 6,8-Dimethyl-7H-benzocyclohepten-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.088815005 u |
| Formula | C13H12O |
| InChI | InChI=1S/C13H12O/c1-9-7-11-5-3-4-6-12(11)8-10(2)13(9)14/h3-8H,1-2H3 |
| InChIKey | YVBMXGVGOLXFFS-UHFFFAOYSA-N |
| Molecular Weight | 184.238 g/mol |
| SMILES | C1=C(C(C(=CC=2C=CC=CC12)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.981941 |