| SpectraBase Compound ID | 5hRJ7omJUnr |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-14-9-6-7-4-5-8(13)10(7)12(16-3)11(9)15-2/h6H,4-5H2,1-3H3 |
| InChIKey | GQMRLYSXCICRFW-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BlwgyVRn4Cs |
|---|---|
| Name | 5,6,7-Trimethoxy-1-indanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-14-9-6-7-4-5-8(13)10(7)12(16-3)11(9)15-2/h6H,4-5H2,1-3H3 |
| InChIKey | GQMRLYSXCICRFW-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C12=C(C(=C(C(=C2)OC)OC)OC)C(=O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954819 |