SpectraBase Spectrum ID |
JCZHcXiE3F4 |
Name |
4-Methyl pentedrone hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
241.123341967 u |
Formula |
C13H20ClNO |
InChI |
InChI=1S/C13H19NO.ClH/c1-4-5-12(14-3)13(15)11-8-6-10(2)7-9-11;/h6-9,12,14H,4-5H2,1-3H3;1H |
InChIKey |
WAZUVZLQZASDGC-UHFFFAOYSA-N |
Molecular Weight |
241.762 g/mol |
SMILES |
Cl.N(C(C(C1=CC=C(C=C1)C)=O)CCC)C |
Spectrum/Structure Validation Score (Raman) |
0.982009 |