SpectraBase Spectrum ID |
7VRqPExLP7c |
Name |
5MT-NB3OMe PFP |
Classification |
Designer drug |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
456.147233356 u |
Formula |
C22H21N2O3F5 |
InChI |
InChI=1S/C22H21F5N2O3/c1-31-16-5-3-4-14(10-16)13-29(20(30)21(23,24)22(25,26)27)9-8-15-12-28-19-7-6-17(32-2)11-18(15)19/h3-7,10-12,28H,8-9,13H2,1-2H3 |
InChIKey |
CTKNWEFIKUXPSH-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
456.413 g/mol |
SMILES |
c1(cc2c([nH]cc2CCN(C(=O)C(F)(F)C(F)(F)F)Cc2cc(ccc2)OC)cc1)OC |
SPLASH |
splash10-03di-1900000000-8c4ed565610ad53332bc |
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_9943 |