| SpectraBase Spectrum ID |
b72udW2ts |
| Name |
5MT-NB3B 2PFP |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
650.026287042 u |
| Formula |
C24H17N2O3BrF10 |
| InChI |
InChI=1S/C24H17BrF10N2O3/c1-40-16-5-6-18-17(10-16)14(12-37(18)20(39)22(28,29)24(33,34)35)7-8-36(11-13-3-2-4-15(25)9-13)19(38)21(26,27)23(30,31)32/h2-6,9-10,12H,7-8,11H2,1H3 |
| InChIKey |
WAZGRXQTIVXQGH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
651.299 g/mol |
| SMILES |
c1(cc2c([n](C(=O)C(F)(F)C(F)(F)F)cc2CCN(C(=O)C(F)(F)C(F)(F)F)Cc2cccc(c2)Br)cc1)OC |
| SPLASH |
splash10-066r-1809000000-6f034dbaa4053f6e76ad |
| 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_9905 |
