| SpectraBase Spectrum ID |
JIhZ8UtpmJE |
| Name |
TDIQ |
| CAS Registry Number |
94143-83-6 |
| Classification |
Isoquinoline designer drug, anxiolytic, anorectic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
177.078978596 u |
| Formula |
C10H11NO2 |
| InChI |
InChI=1S/C10H11NO2/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10/h3-4,11H,1-2,5-6H2 |
| InChIKey |
JHLDJOBIUVJSTG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
177.203 g/mol |
| Nominal Mass |
177 u |
| Quality |
915 |
| Retention Index |
1433 |
| SMILES |
C12=C(C=C3C(=C2)OCO3)CCNC1 |
| SPLASH |
splash10-002b-2900000000-bec52da9cb7608506c00 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
MDTHIQ
5,6,7,8-Tetrahydro[1,3]dioxolo[4,5-g]isoquinoline |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018698 |
