| SpectraBase Spectrum ID |
DvdFMqLnkjp |
| Name |
4-Chloropentedrone hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.068719570 u |
| Formula |
C12H17Cl2NO |
| InChI |
InChI=1S/C12H16ClNO.ClH/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9;/h5-8,11,14H,3-4H2,1-2H3;1H |
| InChIKey |
DRXLZCKWWCGXRT-UHFFFAOYSA-N |
| Molecular Weight |
262.180 g/mol |
| SMILES |
Cl.N(C(C(C1=CC=C(C=C1)Cl)=O)CCC)C |
| Spectrum/Structure Validation Score (Raman) |
0.940546 |
