SpectraBase Spectrum ID |
5WIbQP2u5FA |
Name |
RTI-111 |
Classification |
Cocain analogue designer drug |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
327.079284254 u |
Formula |
C16H19Cl2NO2 |
InChI |
InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10-,11+,14+,15-/m0/s1 |
InChIKey |
AMIHUYQKNJHXPT-DRABBMOASA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
328.239 g/mol |
Nominal Mass |
327 u |
Quality |
999 |
Retention Index |
2402 |
SMILES |
[C@@]1([C@@]([C@@]2(N([C@](C1)(CC2)[H])C)[H])(C(OC)=O)[H])(C1=CC(=C(C=C1)Cl)Cl)[H] |
SPLASH |
splash10-001j-9320000000-80f4fecdf4711decd44c |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Dichloropane
O-401
methyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
Technique |
GC/MS |
Wiley ID |
DD2024_024761 |