SpectraBase Spectrum ID |
FtTp893grDN |
Name |
5MT-NB3F HFB |
Classification |
Designer drug |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
494.124053130 u |
Formula |
C22H18N2O2F8 |
InChI |
InChI=1S/C22H18F8N2O2/c1-34-16-5-6-18-17(10-16)14(11-31-18)7-8-32(12-13-3-2-4-15(23)9-13)19(33)20(24,25)21(26,27)22(28,29)30/h2-6,9-11,31H,7-8,12H2,1H3 |
InChIKey |
JNJMCYUNDWYZOI-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
494.385 g/mol |
SMILES |
c1(ccc2c(c1)c(c[nH]2)CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)Cc1cc(ccc1)F)OC |
SPLASH |
splash10-03di-0900000000-0cf2038cfa6240fe1788 |
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_10011 |