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

*Links on SpectraBase are not permalinks.

Methiothepin maleate

View entire compound with spectra: 2 FTIR, and 1 Raman

Methiothepin maleate
SpectraBase Compound ID Jc4q9NNSLPu
InChI InChI=1S/C20H24N2S2.C4H4O4/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;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey IWDBEHWZGDSFHR-BTJKTKAUSA-N
Mol Weight 472.62 g/mol
Molecular Formula C24H28N2O4S2
Exact Mass 472.14905 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID LQnu0ENOr85
Name Methiothepin maleate
Source of Sample Cayman Chemical Company
Catalog Number 23138
Lot Number 0513659-8
Apodization Function Norton-Beer, medium
CAS Registry Number 19728-88-2
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N2O4S2
IUPAC Name 1-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-piperazine, (2Z)-butenedioate
InChI InChI=1S/C20H24N2S2.C4H4O4/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;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey IWDBEHWZGDSFHR-BTJKTKAUSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 472.618 g/mol
SMILES OC(\C=C/C(O)=O)=O.c1ccc2c(c1)CC(c1c(S2)ccc(c1)SC)N1CCN(CC1)C
Source of Spectrum Forensic Spectral Research
Synonyms Metitepine
Technique KBr0