| SpectraBase Compound ID | HNvGOwLiTr9 |
|---|---|
| InChI | InChI=1S/C10H12ClNO/c1-2-6-12-10(13)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3,(H,12,13) |
| InChIKey | AJMSRHNEAANECG-UHFFFAOYSA-N |
| Mol Weight | 197.66 g/mol |
| Molecular Formula | C10H12ClNO |
| Exact Mass | 197.060742 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KqhwHTvZWGw |
|---|---|
| Name | Benzamide, 3-chloro-N-propyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.060741709 u |
| Formula | C10H12ClNO |
| InChI | InChI=1S/C10H12ClNO/c1-2-6-12-10(13)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3,(H,12,13) |
| InChIKey | AJMSRHNEAANECG-UHFFFAOYSA-N |
| Molecular Weight | 197.665 g/mol |
| SMILES | C1=CC=C(C=C1Cl)C(NCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831347 |