| SpectraBase Compound ID | H1pWfFIB3lt |
|---|---|
| InChI | InChI=1S/C11H11NO/c1-7-4-3-5-9-6-8(2)11(13)12-10(7)9/h3-6H,1-2H3,(H,12,13) |
| InChIKey | DDJXLWMOJCETCF-UHFFFAOYSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C11H11NO |
| Exact Mass | 173.084064 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LjgDC9j1nba |
|---|---|
| Name | 3,8-Dimethylcarbostyril |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.084063977 u |
| Formula | C11H11NO |
| InChI | InChI=1S/C11H11NO/c1-7-4-3-5-9-6-8(2)11(13)12-10(7)9/h3-6H,1-2H3,(H,12,13) |
| InChIKey | DDJXLWMOJCETCF-UHFFFAOYSA-N |
| Molecular Weight | 173.215 g/mol |
| SMILES | C1=CC=C(C2=C1C=C(C)C(=O)N2)C |
| Spectrum/Structure Validation Score (Raman) | 0.989858 |