| SpectraBase Spectrum ID |
8uO286vGymw |
| Name |
Cafedrine -H2O PFP |
| Classification |
Stimulant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
485.148630336 u |
| Formula |
C21H20F5N5O3 |
| InChI |
InChI=1S/C21H20F5N5O3/c1-13(11-14-7-5-4-6-8-14)31(18(33)20(22,23)21(24,25)26)10-9-30-12-27-16-15(30)17(32)29(3)19(34)28(16)2/h4-8,11-12H,9-10H2,1-3H3/b13-11+ |
| InChIKey |
SHPOPPYDRUSMIH-ACCUITESSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
485.415 g/mol |
| Related CAS Registry Number(s) |
58166-83-9 |
| SMILES |
C1(N(C(c2c(N1C)nc[n]2CCN(C(C(C(F)(F)F)(F)F)=O)\C(C)=C/c1ccccc1)=O)C)=O |
| SPLASH |
splash10-0apj-4910000000-fc82414d6170d483ab1b |
| 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_6118 |
