SpectraBase Spectrum ID |
2nLVQgsJjma |
Name |
Ketamine-M (-NHCH3,Oxo) |
Classification |
Pharmaceutical drug metabolite |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
222.044757292 u |
Formula |
C12H11ClO2 |
InChI |
InChI=1S/C12H11ClO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-2,4-6,11,14H,3,7H2 |
InChIKey |
BWKTVUIAOXLSEF-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
222.671 g/mol |
Nominal Mass |
222 u |
Quality |
835 |
Retention Index |
1599 |
SMILES |
OC1C(C(C=2C(=CC=CC2)Cl)=CCC1)=O |
SPLASH |
splash10-000i-1910000000-0f974d9dcf0769449436 |
Sample Comments |
Structure uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2'-chloro-3-hydroxy-4,5-dihydro[1,1'-biphenyl]-2(3H)-one |
Technique |
GC/MS |
Wiley ID |
DD2024_001796 |