| SpectraBase Spectrum ID |
bAdRrKIZk |
| Name |
5MT-NB3I 2HFB |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
798.006031694 u |
| Formula |
C26H17N2O3IF14 |
| InChI |
InChI=1S/C26H17F14IN2O3/c1-46-16-5-6-18-17(10-16)14(12-43(18)20(45)22(29,30)24(33,34)26(38,39)40)7-8-42(11-13-3-2-4-15(41)9-13)19(44)21(27,28)23(31,32)25(35,36)37/h2-6,9-10,12H,7-8,11H2,1H3 |
| InChIKey |
XHUSHVAXDBMJCR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
798.315 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)I)OC |
| SPLASH |
splash10-066r-0129000000-f7f0a46e294e0e2fc75f |
| 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_9926 |
