![4H-Pyrrolo[3,4-d]isothiazole-4,6(5H)-dione, 5-(4-chlorophenyl)-3-phenyl-](/api/spectrum/FlK6pfSQgG4/structure.png?h=300&w=458 "4H-Pyrrolo[3,4-d]isothiazole-4,6(5H)-dione, 5-(4-chlorophenyl)-3-phenyl-")
| SpectraBase Compound ID | KXH34J1xfAH |
|---|---|
| InChI | InChI=1S/C17H9ClN2O2S/c18-11-6-8-12(9-7-11)20-16(21)13-14(10-4-2-1-3-5-10)19-23-15(13)17(20)22/h1-9H |
| InChIKey | OFVPPLNESLCMKY-UHFFFAOYSA-N |
| Mol Weight | 340.78 g/mol |
| Molecular Formula | C17H9ClN2O2S |
| Exact Mass | 340.007326 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FlK6pfSQgG4 |
|---|---|
| Name | 4H-Pyrrolo[3,4-d]isothiazole-4,6(5H)-dione, 5-(4-chlorophenyl)-3-phenyl- |
| CAS Registry Number | 140159-08-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H9ClN2O2S |
| InChI | InChI=1S/C17H9ClN2O2S/c18-11-6-8-12(9-7-11)20-16(21)13-14(10-4-2-1-3-5-10)19-23-15(13)17(20)22/h1-9H |
| InChIKey | OFVPPLNESLCMKY-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |