| SpectraBase Compound ID | CZ0Xi9969Yl |
|---|---|
| InChI | InChI=1S/C8H9NO3S/c1-6(10)9-7-2-4-8(5-3-7)13(11)12/h2-5H,1H3,(H,9,10)(H,11,12) |
| InChIKey | YDQNDKBOOVXRTL-UHFFFAOYSA-N |
| Mol Weight | 199.22 g/mol |
| Molecular Formula | C8H9NO3S |
| Exact Mass | 199.030314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ySP1e2WaHX |
|---|---|
| Name | YDQNDKBOOVXRTL-UHFFFAOYSA-N |
| Compound Number | 973 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H9NO3S |
| InChI | InChI=1S/C8H9NO3S/c1-6(10)9-7-2-4-8(5-3-7)13(11)12/h2-5H,1H3,(H,9,10)(H,11,12) |
| InChIKey | YDQNDKBOOVXRTL-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 199.224 g/mol |
| Sample ID | 62 |
| Solvent | DMSO-D6 |