| SpectraBase Spectrum ID |
HXPWpt3pdO4 |
| Name |
5MT-NB4B HFB |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
554.043987967 u |
| Formula |
C22H18N2O2BrF7 |
| InChI |
InChI=1S/C22H18BrF7N2O2/c1-34-16-6-7-18-17(10-16)14(11-31-18)8-9-32(12-13-2-4-15(23)5-3-13)19(33)20(24,25)21(26,27)22(28,29)30/h2-7,10-11,31H,8-9,12H2,1H3 |
| InChIKey |
AXBWHPHIFWVNDV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
555.291 g/mol |
| SMILES |
c1(ccc2c(c1)c(c[nH]2)CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)Cc1ccc(cc1)Br)OC |
| SPLASH |
splash10-03di-0900000000-8ec0aa7a73b00e24233c |
| 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_9915 |
