| SpectraBase Spectrum ID |
5dsTcZip02S |
| Name |
5MT-NB2B PFP |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
504.047181641 u |
| Formula |
C21H18N2O2BrF5 |
| InChI |
InChI=1S/C21H18BrF5N2O2/c1-31-15-6-7-18-16(10-15)13(11-28-18)8-9-29(12-14-4-2-3-5-17(14)22)19(30)20(23,24)21(25,26)27/h2-7,10-11,28H,8-9,12H2,1H3 |
| InChIKey |
XIWJGDXXCZPBSZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
505.283 g/mol |
| SMILES |
c1(cc2c([nH]cc2CCN(C(=O)C(F)(F)C(F)(F)F)Cc2ccccc2Br)cc1)OC |
| SPLASH |
splash10-03di-1900000000-982e911337f4b6f68e4a |
| 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_9894 |
