| SpectraBase Spectrum ID |
AuSQ9JmzX1K |
| Name |
5MT-NB3Cl 2HFB |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
706.070414394 u |
| Formula |
C26H17N2O3ClF14 |
| InChI |
InChI=1S/C26H17ClF14N2O3/c1-46-16-5-6-18-17(10-16)14(12-43(18)20(45)22(30,31)24(34,35)26(39,40)41)7-8-42(11-13-3-2-4-15(27)9-13)19(44)21(28,29)23(32,33)25(36,37)38/h2-6,9-10,12H,7-8,11H2,1H3 |
| InChIKey |
IVCRXBDGJHGISD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
706.864 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)Cl)OC |
| SPLASH |
splash10-066r-0309000000-c122eabe60288cd4ada3 |
| 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_9977 |
