![1,2-Dihydro-7-methyl-3H-benz[E]inden-3-one](/api/spectrum/3fZE8WeAdTi/structure.png?h=300&w=458 "1,2-Dihydro-7-methyl-3H-benz[E]inden-3-one")
| SpectraBase Compound ID | AVVthSjpiNz |
|---|---|
| InChI | InChI=1S/C14H12O/c1-9-2-4-11-10(8-9)3-5-13-12(11)6-7-14(13)15/h2-5,8H,6-7H2,1H3 |
| InChIKey | KMZDSGXLWXALEO-UHFFFAOYSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C14H12O |
| Exact Mass | 196.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3fZE8WeAdTi |
|---|---|
| Name | 1,2-Dihydro-7-methyl-3H-benz[E]inden-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.088815005 u |
| Formula | C14H12O |
| InChI | InChI=1S/C14H12O/c1-9-2-4-11-10(8-9)3-5-13-12(11)6-7-14(13)15/h2-5,8H,6-7H2,1H3 |
| InChIKey | KMZDSGXLWXALEO-UHFFFAOYSA-N |
| Molecular Weight | 196.249 g/mol |
| SMILES | C1(=O)C2=C(C=3C=CC(C)=CC3C=C2)CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.926197 |