| SpectraBase Spectrum ID |
AVHwLzjKflj |
| Name |
Methiothepin maleate |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
23138 |
| Lot Number |
0513659-8 |
| CAS Registry Number |
19728-88-2 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 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 |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1200 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
c1ccc2c(c1)CC(c1c(S2)ccc(c1)SC)N1CCN(CC1)C.OC(\C=C/C(O)=O)=O |
| Scans Performed |
1728 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Metitepine |
| Technique |
FT-Raman |
