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Cafedrine -H2O AC
SpectraBase Compound ID 7iUQMJZdIJf
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
Mol Weight 381.44 g/mol
Molecular Formula C20H23N5O3
Exact Mass 381.18009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyBA7bMfRyS
Name Cafedrine -H2O AC
Classification Stimulant
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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