| SpectraBase Compound ID | GtE2ripoliI |
|---|---|
| InChI | InChI=1S/C11H12O/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h5-6H,3-4H2,1-2H3 |
| InChIKey | NXOHUHPRFMGJSZ-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C11H12O |
| Exact Mass | 160.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ElfIxAliQSQ |
|---|---|
| Name | 5,7-Dimethyl-1-indanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.088815005 u |
| Formula | C11H12O |
| InChI | InChI=1S/C11H12O/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h5-6H,3-4H2,1-2H3 |
| InChIKey | NXOHUHPRFMGJSZ-UHFFFAOYSA-N |
| Molecular Weight | 160.216 g/mol |
| SMILES | C=12C(=CC(=CC1CCC2=O)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.967709 |