| SpectraBase Compound ID | 7Pq2s63XWfl |
|---|---|
| InChI | InChI=1S/C10H8ClNO/c1-12-9-5-3-2-4-7(9)8(11)6-10(12)13/h2-6H,1H3 |
| InChIKey | DCBIIUKJSLGVIH-UHFFFAOYSA-N |
| Mol Weight | 193.63 g/mol |
| Molecular Formula | C10H8ClNO |
| Exact Mass | 193.029442 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LRASAyLQ38M |
|---|---|
| Name | 4-Chloro-1-methylcarbostyril |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.029441581 u |
| Formula | C10H8ClNO |
| InChI | InChI=1S/C10H8ClNO/c1-12-9-5-3-2-4-7(9)8(11)6-10(12)13/h2-6H,1H3 |
| InChIKey | DCBIIUKJSLGVIH-UHFFFAOYSA-N |
| Molecular Weight | 193.633 g/mol |
| SMILES | C=12C=CC=CC1N(C(C=C2Cl)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.934532 |