| SpectraBase Spectrum ID |
GUAc59rEvGy |
| Name |
N-(1-[2-(2,3-Dihydrothiophen-2-yl)ethyl]piperidin-4-yl)-2,2,3,3,4,4,4-heptafluoro-N-(3-fluorophenyl)butylamide |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.11 (h) (30) |
| DEA Controlled Substance Name |
(i) Fentanyl-related substance means any substance not otherwise listed under another Administration Controlled Substance Code Number, and for which no exemption or approval is in effect under section 505 of the Federal Food, Drug, and Cosmetic Act [21 U.S.C. 355], that is structurally related to fentanyl by one or more of the following modifications: |
| DEA Controlled Substance Type |
Isomers, esters, ethers, salts and salts of isomers, esters and ethers |
| DEA Controlled Substances Code Number |
9850 |
| DEA Schedule |
Schedule I |
| DEA Section |
Temporary listing of substances subject to emergency scheduling. Any material, compound, mixture or preparation which contains any quantity of the following substances. |
| Exact Mass |
502.132509813 u |
| Formula |
C21H22F8N2OS |
| InChI |
InChI=1S/C21H22F8N2OS/c22-14-3-1-4-16(13-14)31(18(32)19(23,24)20(25,26)21(27,28)29)15-6-9-30(10-7-15)11-8-17-5-2-12-33-17/h1-4,12-13,15,17H,5-11H2 |
| InChIKey |
HQCFAGJMKQXTTR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
502.467 g/mol |
| Nominal Mass |
502 u |
| Quality |
999 |
| Retention Index |
3693 |
| SMILES |
C(C(C(N(C1CCN(CC1)CCC1SC=CC1)C1=CC(=CC=C1)F)=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH |
splash10-0lxx-9631200000-8a7baa9ff1af163e16d2 |
| Sample Comments |
Position of pi-bond uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026728 |
![N-(1-[2-(2,3-Dihydrothiophen-2-yl)ethyl]piperidin-4-yl)-2,2,3,3,4,4,4-heptafluoro-N-(3-fluorophenyl)butylamide](/api/spectrum/GUAc59rEvGy/structure.png?h=300&w=458 "N-(1-[2-(2,3-Dihydrothiophen-2-yl)ethyl]piperidin-4-yl)-2,2,3,3,4,4,4-heptafluoro-N-(3-fluorophenyl)butylamide")
