| SpectraBase Compound ID | D94QNt4mAeC |
|---|---|
| InChI | InChI=1S/C8H8ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6- |
| InChIKey | MVKUBKNVOVQEAV-POHAHGRESA-N |
| Mol Weight | 153.61 g/mol |
| Molecular Formula | C8H8ClN |
| Exact Mass | 153.034527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IGfavy9rQn1 |
|---|---|
| Name | Chlormezanone-artifact |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.034526962 u |
| Formula | C8H8ClN |
| InChI | InChI=1S/C8H8ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6- |
| InChIKey | MVKUBKNVOVQEAV-POHAHGRESA-N |
| Molecular Weight | 153.612 g/mol |
| SMILES | c1cc(ccc1Cl)\C=N/C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89194 |