| SpectraBase Spectrum ID |
5tyWq13j4aN |
| Name |
5MT-NB3CF3 2TFA |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
540.109545879 u |
| Formula |
C23H17N2O3F9 |
| InChI |
InChI=1S/C23H17F9N2O3/c1-37-16-5-6-18-17(10-16)14(12-34(18)20(36)23(30,31)32)7-8-33(19(35)22(27,28)29)11-13-3-2-4-15(9-13)21(24,25)26/h2-6,9-10,12H,7-8,11H2,1H3 |
| InChIKey |
BOCFSFRJEFZFBX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
540.386 g/mol |
| SMILES |
c1(cc2c([n](C(=O)C(F)(F)F)cc2CCN(Cc2cccc(C(F)(F)F)c2)C(=O)C(F)(F)F)cc1)OC |
| SPLASH |
splash10-0aor-0590000000-56e6ef8e44691841b669 |
| 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_9996 |
