For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cafedrine TMS
SpectraBase Compound ID 8ts2J9cl8jl
InChI InChI=1S/C21H31N5O3Si/c1-15(18(29-30(4,5)6)16-10-8-7-9-11-16)22-12-13-26-14-23-19-17(26)20(27)25(3)21(28)24(19)2/h7-11,14-15,18,22H,12-13H2,1-6H3
InChIKey YTNISQBDXNVPKI-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C21H31N5O3Si
Exact Mass 429.219616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Gt3QXVimzzN
Name Cafedrine TMS
Classification Stimulant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 429.219616410 u
Formula C21H31N5O3Si
InChI InChI=1S/C21H31N5O3Si/c1-15(18(29-30(4,5)6)16-10-8-7-9-11-16)22-12-13-26-14-23-19-17(26)20(27)25(3)21(28)24(19)2/h7-11,14-15,18,22H,12-13H2,1-6H3
InChIKey YTNISQBDXNVPKI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 429.596 g/mol
Related CAS Registry Number(s) 58166-83-9
SMILES C1(N(C(=O)c2[n](cnc2N1C)CCNC(C)C(c1ccccc1)O[Si](C)(C)C)C)=O
SPLASH splash10-0uk9-9480000000-5c50874b7fef1780be54
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_6216