| SpectraBase Compound ID | BPdwif9CVNJ |
|---|---|
| InChI | InChI=1S/C11H10N2O8S/c1-20-10(14)9-12(11(15)21-2)7-4-3-6(13(16)17)5-8(7)22(9,18)19/h3-5,9H,1-2H3 |
| InChIKey | MCTRITRIXRFPGF-UHFFFAOYSA-N |
| Mol Weight | 330.27 g/mol |
| Molecular Formula | C11H10N2O8S |
| Exact Mass | 330.015786 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KBcc1SSbFyC |
|---|---|
| Name | 1,1-Diketo-6-nitro-2H-1,3-benzothiazole-2,3-dicarboxylic acid dimethyl ester |
| Alternate Name(s) | Dimethyl 6-nitro-1,3-benzothiazole-2,3(2H)-dicarboxylate 1,1-dioxide 6-Nitro-1,1-dioxo-2H-1,3-benzothiazole-2,3-dicarboxylic acid dimethyl ester Benzothiazole-2,3-dicarboxylic acid, 2,3-dihydro-6-nitro-, dimethyl ester, 1,1-dioxide Dimethyl 6-nitro-1,1-bis(oxidanylidene)-2H-1,3-benzothiazole-2,3-dicarboxylate Dimethyl 6-nitro-1,1-dioxo-2H-1,3-benzothiazole-2,3-dicarboxylate |
| CAS Registry Number | 335434-44-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H10N2O8S |
| InChI | InChI=1S/C11H10N2O8S/c1-20-10(14)9-12(11(15)21-2)7-4-3-6(13(16)17)5-8(7)22(9,18)19/h3-5,9H,1-2H3 |
| InChIKey | MCTRITRIXRFPGF-UHFFFAOYSA-N |
| Molecular Weight | 330.267 g/mol |
| SMILES | C1(S(c2c(N1C(=O)OC)ccc(c2)N(=O)=O)(=O)=O)C(=O)OC |
| SPLASH | splash10-0a4i-3900000000-68b6ff111e76995de33e |
| Source of Spectrum | SO-0-303-6 |
| Wiley ID | 864136 |