| SpectraBase Spectrum ID |
B21CnYwis1j |
| Name |
25I-NB4B HFB |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
670.940298582 u |
| Formula |
C21H18NO3BrIF7 |
| InChI |
InChI=1S/C21H18BrF7INO3/c1-33-16-10-15(30)17(34-2)9-13(16)7-8-31(11-12-3-5-14(22)6-4-12)18(32)19(23,24)20(25,26)21(27,28)29/h3-6,9-10H,7-8,11H2,1-2H3 |
| InChIKey |
LDYBYGOAJNWSOF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
672.176 g/mol |
| SMILES |
c1c(c(cc(OC)c1I)CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)Cc1ccc(cc1)Br)OC |
| SPLASH |
splash10-002f-2690000000-c0936e6de8ffa68842ff |
| 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_9745 |
