| SpectraBase Spectrum ID |
2OpYMFijOTL |
| Name |
5MT-NB3I 2TFA |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
598.018806390 u |
| Formula |
C22H17N2O3IF6 |
| InChI |
InChI=1S/C22H17F6IN2O3/c1-34-16-5-6-18-17(10-16)14(12-31(18)20(33)22(26,27)28)7-8-30(19(32)21(23,24)25)11-13-3-2-4-15(29)9-13/h2-6,9-10,12H,7-8,11H2,1H3 |
| InChIKey |
WQBAXKDAKZWJEX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
598.284 g/mol |
| SMILES |
c1(cc2c(CCN(C(=O)C(F)(F)F)Cc3cccc(c3)I)c[n](c2cc1)C(=O)C(F)(F)F)OC |
| SPLASH |
splash10-066r-2490000000-fa3736be9eab42aaf68e |
| 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_9922 |
