| SpectraBase Spectrum ID |
f5xDUhwPNi |
| Name |
5MT-NB3Me 2HFB |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
686.125036791 u |
| Formula |
C27H20N2O3F14 |
| InChI |
InChI=1S/C27H20F14N2O3/c1-14-4-3-5-15(10-14)12-42(20(44)22(28,29)24(32,33)26(36,37)38)9-8-16-13-43(19-7-6-17(46-2)11-18(16)19)21(45)23(30,31)25(34,35)27(39,40)41/h3-7,10-11,13H,8-9,12H2,1-2H3 |
| InChIKey |
KUJWIIFAVNDABJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
686.446 g/mol |
| SMILES |
c1(ccc2c(c1)c(c[n]2C(=O)C(F)(F)C(F)(F)C(F)(F)F)CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)Cc1cc(ccc1)C)OC |
| SPLASH |
splash10-0aor-1709000000-660299717d22ce6a57bd |
| 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_9965 |
