| SpectraBase Compound ID | CppNW8DtroH |
|---|---|
| InChI | InChI=1S/C9H6ClNO3/c1-5(12)11-7-4-6(10)2-3-8(7)14-9(11)13/h2-4H,1H3 |
| InChIKey | LOYFUELOTCGIOH-UHFFFAOYSA-N |
| Mol Weight | 211.6 g/mol |
| Molecular Formula | C9H6ClNO3 |
| Exact Mass | 211.003621 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GMJi9ybuOY7 |
|---|---|
| Name | 2(3H)-Benzoxazolone, 3-acetyl-5-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.003620754 u |
| Formula | C9H6ClNO3 |
| InChI | InChI=1S/C9H6ClNO3/c1-5(12)11-7-4-6(10)2-3-8(7)14-9(11)13/h2-4H,1H3 |
| InChIKey | LOYFUELOTCGIOH-UHFFFAOYSA-N |
| Molecular Weight | 211.604 g/mol |
| SMILES | CC(=O)N1C(=O)OC2=C1C=C(C=C2)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863243 |