| SpectraBase Spectrum ID |
IAxPxqyQuDq |
| Name |
Cafedrine -H2O |
| Classification |
Stimulant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
339.169524934 u |
| Formula |
C18H21N5O2 |
| InChI |
InChI=1S/C18H21N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,11-12,19H,9-10H2,1-3H3/b13-11+ |
| InChIKey |
WTMAXGDDIAUVDS-ACCUITESSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
339.399 g/mol |
| Related CAS Registry Number(s) |
58166-83-9 |
| SMILES |
C1(N(C(c2[n](cnc2N1C)CCN\C(C)=C/c1ccccc1)=O)C)=O |
| SPLASH |
splash10-0udi-3390000000-81badb12670c7442b793 |
| 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. |
| Sample Preparation Procedure |
Detected: G P UHY |
| 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_1313 |
