| SpectraBase Compound ID | IOBv6R6HrGL |
|---|---|
| InChI | InChI=1S/C12H10O3/c1-6-3-4-8-9(5-6)12(15)10(7(2)13)11(8)14/h3-5,10H,1-2H3 |
| InChIKey | DPMZPIHYTVSTQZ-UHFFFAOYSA-N |
| Mol Weight | 202.21 g/mol |
| Molecular Formula | C12H10O3 |
| Exact Mass | 202.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FTzu0lH14va |
|---|---|
| Name | 2-Acetyl-5-methyl-indane-1,3-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.062994179 u |
| Formula | C12H10O3 |
| InChI | InChI=1S/C12H10O3/c1-6-3-4-8-9(5-6)12(15)10(7(2)13)11(8)14/h3-5,10H,1-2H3 |
| InChIKey | DPMZPIHYTVSTQZ-UHFFFAOYSA-N |
| Molecular Weight | 202.209 g/mol |
| SMILES | C1(C(C=2C=C(C)C=CC2C1=O)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912744 |