| SpectraBase Compound ID | 8VbcW2f8fD5 |
|---|---|
| InChI | InChI=1S/C7H2N2O5S2/c10-8(11)3-1-4(9(12)13)6-5(2-3)16-7(15)14-6/h1-2H |
| InChIKey | AXJOJEPIOYDLPJ-UHFFFAOYSA-N |
| Mol Weight | 258.22 g/mol |
| Molecular Formula | C7H2N2O5S2 |
| Exact Mass | 257.940514 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EBPOph0Ac58 |
|---|---|
| Name | 5,7-Dinitro-1,3-benzoxathiole-2-thione |
| CAS Registry Number | 95617-23-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H2N2O5S2 |
| InChI | InChI=1S/C7H2N2O5S2/c10-8(11)3-1-4(9(12)13)6-5(2-3)16-7(15)14-6/h1-2H |
| InChIKey | AXJOJEPIOYDLPJ-UHFFFAOYSA-N |
| Molecular Weight | 258.222 g/mol |
| SMILES | c1(c2c(SC(O2)=S)cc(N(=O)=O)c1)N(=O)=O |
| SPLASH | splash10-03ec-9310000000-2ce64ab49230dbac1303 |
| Source of Spectrum | J-50-1511-6 |
| Wiley ID | 1261120 |