| SpectraBase Spectrum ID |
FyBA7bMfRyS |
| Name |
Cafedrine -H2O AC |
| Classification |
Stimulant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
381.180089618 u |
| Formula |
C20H23N5O3 |
| InChI |
InChI=1S/C20H23N5O3/c1-14(16-8-6-5-7-9-16)12-24(15(2)26)10-11-25-13-21-18-17(25)19(27)23(4)20(28)22(18)3/h5-9,12-13H,10-11H2,1-4H3/b14-12+ |
| InChIKey |
LMNWBYMVYHMHLH-WYMLVPIESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
381.436 g/mol |
| SMILES |
C\C(=C/N(CC[n]1c2c(N(C(=O)N(C2=O)C)C)nc1)C(C)=O)c1ccccc1 |
| SPLASH |
splash10-0udi-1190000000-bef0a389efe3e0c06ea1 |
| 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: U+UHYAC |
| 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_1739 |
