| SpectraBase Spectrum ID |
5WxjvyRuY9Q |
| Name |
2C-T-31 HFB |
| Classification |
Phenethylamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
567.092596277 u |
| Formula |
C22H19F10NO3S |
| InChI |
InChI=1S/C22H19F10NO3S/c1-35-15-10-17(37-11-12-3-5-14(6-4-12)20(25,26)27)16(36-2)9-13(15)7-8-33-18(34)19(23,24)21(28,29)22(30,31)32/h3-6,9-10H,7-8,11H2,1-2H3,(H,33,34) |
| InChIKey |
HRIJNZCQEJONMW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
567.442 g/mol |
| Nominal Mass |
567 u |
| Quality |
996 |
| Retention Index |
2458 |
| SMILES |
C(C(C(NCCC=1C(=CC(=C(C1)OC)SCC=1C=CC(C(F)(F)F)=CC1)OC)=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH |
splash10-014m-2904030000-5c6a311fc5a7ad9c0ae4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-Heptafluorobutyryl-2,5-dimethoxy-4-(4-trifluoromethyl)benzylthiophenethylamine
N-(2-(2,5-dimethoxy-4-((4-(trifluoromethyl)benzyl)sulfanyl)phenyl)ethyl)-2,2,3,3,4,4,4-heptafluorobutanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016547 |
