| SpectraBase Compound ID | AjFisXmQClQ |
|---|---|
| InChI | InChI=1S/C13H11ClO2/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,13,15-16H |
| InChIKey | SQPVMDMBNKARPE-UHFFFAOYSA-N |
| Mol Weight | 234.68 g/mol |
| Molecular Formula | C13H11ClO2 |
| Exact Mass | 234.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I1qHeDvKK5H |
|---|---|
| Name | Chlorbenzoxamine-m hy P525 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.044757292 u |
| Formula | C13H11ClO2 |
| InChI | InChI=1S/C13H11ClO2/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,13,15-16H |
| InChIKey | SQPVMDMBNKARPE-UHFFFAOYSA-N |
| Molecular Weight | 234.682 g/mol |
| SMILES | C1(C(C=2C=CC(O)=CC2)O)=CC=CC(=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932168 |