| SpectraBase Compound ID | D9d4QNkDsIU |
|---|---|
| InChI | InChI=1S/C11H14ClNO/c1-3-13-8(2)11(14)9-5-4-6-10(12)7-9/h4-8,13H,3H2,1-2H3 |
| InChIKey | ZMJIUWPWADQNLC-UHFFFAOYSA-N |
| Mol Weight | 211.69 g/mol |
| Molecular Formula | C11H14ClNO |
| Exact Mass | 211.076392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 63dT7xorDf4 |
|---|---|
| Name | 3-Chloroethcathinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.076391774 u |
| Formula | C11H14ClNO |
| InChI | InChI=1S/C11H14ClNO/c1-3-13-8(2)11(14)9-5-4-6-10(12)7-9/h4-8,13H,3H2,1-2H3 |
| InChIKey | ZMJIUWPWADQNLC-UHFFFAOYSA-N |
| Molecular Weight | 211.692 g/mol |
| SMILES | N(C(C(C=1C=C(C=CC1)Cl)=O)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890921 |