| SpectraBase Compound ID | 9BxPw3HZMwC |
|---|---|
| InChI | InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11) |
| InChIKey | QIGIQLYKEULMQQ-UHFFFAOYSA-N |
| Mol Weight | 168.58 g/mol |
| Molecular Formula | C7H5ClN2O |
| Exact Mass | 168.00904 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L0YaFC8aSgs |
|---|---|
| Name | 5-Chloro-1,3-dihydro-2H-benzimidazol-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.009040488 u |
| Formula | C7H5ClN2O |
| InChI | InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11) |
| InChIKey | QIGIQLYKEULMQQ-UHFFFAOYSA-N |
| Molecular Weight | 168.583 g/mol |
| SMILES | C1(=O)NC2=CC=C(C=C2N1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966216 |