| SpectraBase Compound ID | J47q5ddmzDl |
|---|---|
| InChI | InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+ |
| InChIKey | ZTHJULTYCAQOIJ-WXXKFALUSA-N |
| Mol Weight | 441.55 g/mol |
| Molecular Formula | C21H25N3O2S·½C4H4O4 |
| Exact Mass | 441.172228 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | EOsgFUMH0lY |
|---|---|
| Name | Quetiapine hemifumarate |
| Source of Sample | Lipomed AG |
| Catalog Number | QUE-1200-FU |
| Lot Number | 1200.1B0.1 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 111974-72-2 |
| Compound Type | Pure |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H54N6O8S2 |
| InChI | InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+ |
| InChIKey | ZTHJULTYCAQOIJ-WXXKFALUSA-N |
| Instrument Name | Bio-Rad FTS |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Seroquel |
| Technique | ATR-Neat (DuraSamplIR II) |