| SpectraBase Spectrum ID |
32HCuaBmr2 |
| Name |
5MT-NB3I 2PFP |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
698.012419042 u |
| Formula |
C24H17N2O3IF10 |
| InChI |
InChI=1S/C24H17F10IN2O3/c1-40-16-5-6-18-17(10-16)14(12-37(18)20(39)22(27,28)24(32,33)34)7-8-36(11-13-3-2-4-15(35)9-13)19(38)21(25,26)23(29,30)31/h2-6,9-10,12H,7-8,11H2,1H3 |
| InChIKey |
SGSXKSHDWYFFEO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
698.300 g/mol |
| SMILES |
c1(cc2c([n](C(=O)C(F)(F)C(F)(F)F)cc2CCN(C(=O)C(F)(F)C(F)(F)F)Cc2cccc(c2)I)cc1)OC |
| SPLASH |
splash10-014i-1439000000-a301e988ba4043658844 |
| 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_9924 |
