SpectraBase Spectrum ID |
LjDimnr6plj |
Name |
Deschloro-N-ethyl-ketamine hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.123341967 u |
Formula |
C14H20ClNO |
InChI |
InChI=1S/C14H19NO.ClH/c1-2-15-14(11-7-6-10-13(14)16)12-8-4-3-5-9-12;/h3-5,8-9,15H,2,6-7,10-11H2,1H3;1H |
InChIKey |
JWRSSLUSBSLMIT-UHFFFAOYSA-N |
Molecular Weight |
253.773 g/mol |
SMILES |
Cl.N(C1(C(CCCC1)=O)C=1C=CC=CC1)CC |
Spectrum/Structure Validation Score (Raman) |
0.971232 |