| SpectraBase Compound ID | AUg99NzkZgN |
|---|---|
| InChI | InChI=1S/C10H11NO2/c1-13-8-4-2-3-7-5-6-11-10(12)9(7)8/h2-4H,5-6H2,1H3,(H,11,12) |
| InChIKey | RBGJBRPKCUAHJQ-UHFFFAOYSA-N |
| Mol Weight | 177.2 g/mol |
| Molecular Formula | C10H11NO2 |
| Exact Mass | 177.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6OgLDI4x6Ho |
|---|---|
| Name | 3,4-Dihydro-8-methoxyisocarbostyril |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.078978596 u |
| Formula | C10H11NO2 |
| InChI | InChI=1S/C10H11NO2/c1-13-8-4-2-3-7-5-6-11-10(12)9(7)8/h2-4H,5-6H2,1H3,(H,11,12) |
| InChIKey | RBGJBRPKCUAHJQ-UHFFFAOYSA-N |
| Molecular Weight | 177.203 g/mol |
| SMILES | N1CCC=2C=CC=C(C2C1=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.981702 |