| SpectraBase Spectrum ID |
CbTwK27WREH |
| Name |
5MT-NB3SMe 2PFP |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
618.103495313 u |
| Formula |
C25H20N2O3SF10 |
| InChI |
InChI=1S/C25H20F10N2O3S/c1-40-16-6-7-19-18(11-16)15(13-37(19)21(39)23(28,29)25(33,34)35)8-9-36(20(38)22(26,27)24(30,31)32)12-14-4-3-5-17(10-14)41-2/h3-7,10-11,13H,8-9,12H2,1-2H3 |
| InChIKey |
ZGWFUZYOZIBMEK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
618.490 g/mol |
| SMILES |
c1(cc2c(cc1)[n](C(=O)C(F)(F)C(F)(F)F)cc2CCN(C(=O)C(F)(F)C(F)(F)F)Cc1cc(ccc1)SC)OC |
| SPLASH |
splash10-0670-1918000000-1dd820fe3df78a00786a |
| 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_9986 |
