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Methiothepin mesylate salt
SpectraBase Compound ID 8i7eZL2LUMH
InChI InChI=1S/C20H24N2S2.CH4O3S/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;1-5(2,3)4/h3-8,14,18H,9-13H2,1-2H3;1H3,(H,2,3,4)
InChIKey CZMDZGZYKOGLJY-UHFFFAOYSA-N
Mol Weight 452.65 g/mol
Molecular Formula C21H28N2O3S3
Exact Mass 452.126206 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1nsywym4YZU
Name Methiothepin mesylate
Source of Sample Sigma-Aldrich Company LLC
Catalog Number M149
Lot Number 123M4719V
Apodization Function Triangular
CAS Registry Number 74611-28-2
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O3S3
InChI InChI=1S/C20H24N2S2.CH4O3S/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;1-5(2,3)4/h3-8,14,18H,9-13H2,1-2H3;1H3,(H,2,3,4)
InChIKey CZMDZGZYKOGLJY-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c12C(Cc3c(Sc2ccc(c1)SC)cccc3)N1CCN(CC1)C.OS(=O)(=O)C
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique KBr0