| SpectraBase Compound ID | 2zqkuJXTmLf |
|---|---|
| InChI | InChI=1S/C9H7ClN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-4H,5H2,(H,11,12,13) |
| InChIKey | KSLWZHWJFFDMMK-UHFFFAOYSA-N |
| Mol Weight | 194.62 g/mol |
| Molecular Formula | C9H7ClN2O |
| Exact Mass | 194.024691 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KoESayzS4gM |
|---|---|
| Name | 2-(Chloromethyl)-4(3H)-quinazolinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.024690552 u |
| Formula | C9H7ClN2O |
| InChI | InChI=1S/C9H7ClN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-4H,5H2,(H,11,12,13) |
| InChIKey | KSLWZHWJFFDMMK-UHFFFAOYSA-N |
| Molecular Weight | 194.621 g/mol |
| SMILES | N1C(C=2C=CC=CC2N=C1CCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.840396 |