| SpectraBase Spectrum ID |
275oX0QPy4 |
| Name |
5MT-NB3CF3 2PFP |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
640.103158531 u |
| Formula |
C25H17N2O3F13 |
| InChI |
InChI=1S/C25H17F13N2O3/c1-43-16-5-6-18-17(10-16)14(12-40(18)20(42)22(28,29)25(36,37)38)7-8-39(19(41)21(26,27)24(33,34)35)11-13-3-2-4-15(9-13)23(30,31)32/h2-6,9-10,12H,7-8,11H2,1H3 |
| InChIKey |
UQUKDHIBQVYYKL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
640.401 g/mol |
| SMILES |
c1(ccc2c(c1)c(c[n]2C(=O)C(F)(F)C(F)(F)F)CCN(Cc1cc(C(F)(F)F)ccc1)C(=O)C(F)(F)C(F)(F)F)OC |
| SPLASH |
splash10-0aor-0609000000-73124cf5a084e0c33cff |
| 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_9998 |
