| SpectraBase Spectrum ID |
9tPFNNe00Ng |
| Name |
5MT-NB4B 2TFA |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
550.032674390 u |
| Formula |
C22H17N2O3BrF6 |
| InChI |
InChI=1S/C22H17BrF6N2O3/c1-34-16-6-7-18-17(10-16)14(12-31(18)20(33)22(27,28)29)8-9-30(19(32)21(24,25)26)11-13-2-4-15(23)5-3-13/h2-7,10,12H,8-9,11H2,1H3 |
| InChIKey |
NDSAQHBQBVCBPY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
551.283 g/mol |
| SMILES |
c1(cc2c(CCN(C(=O)C(F)(F)F)Cc3ccc(cc3)Br)c[n](c2cc1)C(=O)C(F)(F)F)OC |
| SPLASH |
splash10-066r-1590000000-7cfe6b907d7a630d8202 |
| 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_9912 |
