| SpectraBase Spectrum ID |
3xlULWZcLA |
| Name |
5MT-NB3SMe 2TFA |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
518.109882661 u |
| Formula |
C23H20N2O3SF6 |
| InChI |
InChI=1S/C23H20F6N2O3S/c1-34-16-6-7-19-18(11-16)15(13-31(19)21(33)23(27,28)29)8-9-30(20(32)22(24,25)26)12-14-4-3-5-17(10-14)35-2/h3-7,10-11,13H,8-9,12H2,1-2H3 |
| InChIKey |
XHEKTKUQZZQRIL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
518.474 g/mol |
| SMILES |
c1(cc2c(CCN(C(=O)C(F)(F)F)Cc3cccc(c3)SC)c[n](c2cc1)C(=O)C(F)(F)F)OC |
| SPLASH |
splash10-066r-2790000000-1670a57cc62aafb1be99 |
| 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_9984 |
