SpectraBase Spectrum ID |
3GrOHnTmRk |
Name |
25I-NB4OMe TFA |
Classification |
Designer drug |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
523.046737645 u |
Formula |
C20H21NO4IF3 |
InChI |
InChI=1S/C20H21F3INO4/c1-27-15-6-4-13(5-7-15)12-25(19(26)20(21,22)23)9-8-14-10-18(29-3)16(24)11-17(14)28-2/h4-7,10-11H,8-9,12H2,1-3H3 |
InChIKey |
DYBYQZFDRUBACC-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
523.291 g/mol |
SMILES |
c1c(OC)c(cc(OC)c1I)CCN(Cc1ccc(cc1)OC)C(=O)C(F)(F)F |
SPLASH |
splash10-006x-2490000000-ce187d794e7b0d38ac05 |
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_9757 |