![5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 7-methyl-2-[(phenylmethyl)sulfonyl]-](/api/spectrum/IrfWYr2nsCD/structure.png?h=300&w=458 "5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 7-methyl-2-[(phenylmethyl)sulfonyl]-")
| SpectraBase Compound ID | 1RgxEt1hTdH |
|---|---|
| InChI | InChI=1S/C13H11N3O3S2/c1-9-7-11(17)16-12(14-9)20-13(15-16)21(18,19)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3 |
| InChIKey | TVQWUDZUYBSCDQ-UHFFFAOYSA-N |
| Mol Weight | 321.37 g/mol |
| Molecular Formula | C13H11N3O3S2 |
| Exact Mass | 321.024184 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | IrfWYr2nsCD |
|---|---|
| Name | 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 7-methyl-2-[(phenylmethyl)sulfonyl]- |
| CAS Registry Number | 65654-07-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H11N3O3S2 |
| InChI | InChI=1S/C13H11N3O3S2/c1-9-7-11(17)16-12(14-9)20-13(15-16)21(18,19)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3 |
| InChIKey | TVQWUDZUYBSCDQ-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |