| SpectraBase Spectrum ID |
7fa2GfXrZU0 |
| Name |
5MT-NB3CF3 2HFB |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
740.096771183 u |
| Formula |
C27H17N2O3F17 |
| InChI |
InChI=1S/C27H17F17N2O3/c1-49-16-5-6-18-17(10-16)14(12-46(18)20(48)22(30,31)25(37,38)27(42,43)44)7-8-45(11-13-3-2-4-15(9-13)23(32,33)34)19(47)21(28,29)24(35,36)26(39,40)41/h2-6,9-10,12H,7-8,11H2,1H3 |
| InChIKey |
KOIKYJXWWHMIHD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
740.417 g/mol |
| SMILES |
c1(ccc2[n](cc(c2c1)CCN(Cc1cc(ccc1)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)F)OC |
| SPLASH |
splash10-0aor-0309000000-c76fb915911feebb0a48 |
| 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_10000 |
