| SpectraBase Spectrum ID |
IjYtZNx2uuo |
| Name |
5MT-NB3I PFP |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
552.033313641 u |
| Formula |
C21H18N2O2IF5 |
| InChI |
InChI=1S/C21H18F5IN2O2/c1-31-16-5-6-18-17(10-16)14(11-28-18)7-8-29(12-13-3-2-4-15(27)9-13)19(30)20(22,23)21(24,25)26/h2-6,9-11,28H,7-8,12H2,1H3 |
| InChIKey |
DTKCVUGGKVEYEP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
552.283 g/mol |
| SMILES |
c1(cc2c([nH]cc2CCN(C(=O)C(F)(F)C(F)(F)F)Cc2cccc(c2)I)cc1)OC |
| SPLASH |
splash10-03di-1910000000-392c2eca68f5c0460107 |
| 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_9923 |
