| SpectraBase Spectrum ID |
FXW75v5fD5J |
| Name |
5MT-NB3CF3 TFA |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
444.127246804 u |
| Formula |
C21H18N2O2F6 |
| InChI |
InChI=1S/C21H18F6N2O2/c1-31-16-5-6-18-17(10-16)14(11-28-18)7-8-29(19(30)21(25,26)27)12-13-3-2-4-15(9-13)20(22,23)24/h2-6,9-11,28H,7-8,12H2,1H3 |
| InChIKey |
MVZRIWWWAPFILU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
444.377 g/mol |
| SMILES |
c1(cc2c(CCN(Cc3cccc(C(F)(F)F)c3)C(=O)C(F)(F)F)c[nH]c2cc1)OC |
| SPLASH |
splash10-03di-0900000000-a066a97a9896c056d2b0 |
| 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_9995 |
