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Metixene
SpectraBase Compound ID BR1EsYObnrb
InChI InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
InChIKey MJFJKKXQDNNUJF-UHFFFAOYSA-N
Mol Weight 309.47 g/mol
Molecular Formula C20H23NS
Exact Mass 309.155121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEZz2Ncax1E
Name Metixene
CAS Registry Number 4969-02-2
Classification Antiparkinsonian
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 309.155120919 u
Formula C20H23NS
InChI InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
InChIKey MJFJKKXQDNNUJF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 309.471 g/mol
SMILES c12c(C(c3c(S2)cccc3)CC2CN(C)CCC2)cccc1
SPLASH splash10-0002-9401000000-10d857de72ede213f50d
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 U+UHYAC-I
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_553