| SpectraBase Compound ID | JX2F8Anqw3Y |
|---|---|
| InChI | InChI=1S/C6H6N2O2S/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1H3 |
| InChIKey | SUATXLIQPPUGPW-UHFFFAOYSA-N |
| Mol Weight | 170.19 g/mol |
| Molecular Formula | C6H6N2O2S |
| Exact Mass | 170.014999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZjRWf98u3t |
|---|---|
| Name | SUATXLIQPPUGPW-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H6N2O2S |
| InChI | InChI=1S/C6H6N2O2S/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1H3 |
| InChIKey | SUATXLIQPPUGPW-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2007) |
| Molecular Weight | 170.186 g/mol |
| Source File Reference | MHKO11221 |