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Tizanidine
SpectraBase Compound ID B9GTL4OwMsk
InChI InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)
InChIKey XFYDIVBRZNQMJC-UHFFFAOYSA-N
Mol Weight 253.71 g/mol
Molecular Formula C9H8ClN5S
Exact Mass 253.018894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqlndgQFUpE
Name Tizanidine
CAS Registry Number 51322-75-9
Classification Muscle relaxant
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Exact Mass 253.018894152 u
Formula C9H8ClN5S
InChI InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)
InChIKey XFYDIVBRZNQMJC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 253.711 g/mol
SMILES c1cc(Cl)c(NC2=NCCN2)c2nsnc12
SPLASH splash10-0f6t-4960000000-a8a32b5a5be584191655
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_7250