| SpectraBase Compound ID | 6V2suIN4rCw |
|---|---|
| InChI | InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2 |
| InChIKey | CNNSBPMDYXZFTQ-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 | Llqw5H8ESBy |
|---|---|
| Name | 3-Amino-1-chloro-4-phenyl-2-butanone |
| 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/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2 |
| InChIKey | CNNSBPMDYXZFTQ-UHFFFAOYSA-N |
| Molecular Weight | 197.665 g/mol |
| SMILES | C1(=CC=CC=C1)CC(C(CCl)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9539 |