![3-Benzoyl-5-methyl-1-(1R,2S,5S)-6-thia-bicyclo[3.1.0]hex-2-yl-1H-pyrimidine-2,4-dione](/api/spectrum/2QFiuYtXpo8/structure.png?h=300&w=458 "3-Benzoyl-5-methyl-1-(1R,2S,5S)-6-thia-bicyclo[3.1.0]hex-2-yl-1H-pyrimidine-2,4-dione")
| SpectraBase Compound ID | LOuiJNJfTGp |
|---|---|
| InChI | InChI=1S/C17H16N2O3S/c1-10-9-18(12-7-8-13-14(12)23-13)17(22)19(15(10)20)16(21)11-5-3-2-4-6-11/h2-6,9,12-14H,7-8H2,1H3/t12-,13-,14+/m0/s1 |
| InChIKey | DKWLMSOZLGAREE-MELADBBJSA-N |
| Mol Weight | 328.39 g/mol |
| Molecular Formula | C17H16N2O3S |
| Exact Mass | 328.088164 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2QFiuYtXpo8 |
|---|---|
| Name | 3-Benzoyl-5-methyl-1-(1R,2S,5S)-6-thia-bicyclo[3.1.0]hex-2-yl-1H-pyrimidine-2,4-dione |
| Alternate Name(s) | (+-)-3-Benzoyl-5-methyl-1-[(1RS,2SR,5SR)-6-thiabicyclo[3.1.0]hex-2-yl]pyrimidine-2,4(1H,3H)-dione 3-Benzoyl-5-methyl-1-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hex-2-yl]-2,4(1H,3H)-pyrimidinedione 3-Benzoyl-5-methyl-1-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-dione 3-Benzoyl-5-methyl-1-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-quinone 5-Methyl-3-(phenylcarbonyl)-1-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-dione 3-Benzoyl-5-methyl-1-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione 5-Methyl-3-(phenylcarbonyl)-1-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H16N2O3S |
| InChI | InChI=1S/C17H16N2O3S/c1-10-9-18(12-7-8-13-14(12)23-13)17(22)19(15(10)20)16(21)11-5-3-2-4-6-11/h2-6,9,12-14H,7-8H2,1H3/t12-,13-,14+/m0/s1 |
| InChIKey | DKWLMSOZLGAREE-MELADBBJSA-N |
| Molecular Weight | 328.386 g/mol |
| SMILES | C1(N(C(C(=CN1[C@@]1([C@]2(S[C@]2(CC1)[H])[H])[H])C)=O)C(=O)c1ccccc1)=O |
| SPLASH | splash10-0a6r-5931000000-03fb90b29e1e4a4ee887 |
| Source of Spectrum | K1-0-4480-34 |
| Wiley ID | 1589545 |