| SpectraBase Spectrum ID |
3HNfeZLmjza |
| Name |
RTI-111 A (-2H) |
| Classification |
Designer drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
325.063634189 u |
| Formula |
C16H17Cl2NO2 |
| InChI |
InChI=1S/C16H17Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10,14H,4,6,8H2,1-2H3/t10-,14+/m0/s1 |
| InChIKey |
OVLMCLBVTLFJPW-IINYFYTJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
326.223 g/mol |
| Nominal Mass |
325 u |
| Quality |
1000 |
| Retention Index |
2465 |
| SMILES |
C1(=C(C2=CC(=C(C=C2)Cl)Cl)C[C@]2(N([C@@]1(CC2)[H])C)[H])C(OC)=O |
| SPLASH |
splash10-0002-3491000000-b889af161f35185792db |
| Sample Comments |
Position of pi-bond uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dichloropane-A (-2H)
Methyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024765 |
