| SpectraBase Spectrum ID |
23D5stOgm8 |
| Name |
5MT-NB3SMe TFA |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
422.127583585 u |
| Formula |
C21H21N2O2SF3 |
| InChI |
InChI=1S/C21H21F3N2O2S/c1-28-16-6-7-19-18(11-16)15(12-25-19)8-9-26(20(27)21(22,23)24)13-14-4-3-5-17(10-14)29-2/h3-7,10-12,25H,8-9,13H2,1-2H3 |
| InChIKey |
ADHIIEPJNMZXQL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
422.466 g/mol |
| SMILES |
c1(cc2c(CCN(C(=O)C(F)(F)F)Cc3cccc(c3)SC)c[nH]c2cc1)OC |
| SPLASH |
splash10-03di-0900100000-9de72d831ca7f436687c |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_9983 |
