| SpectraBase Compound ID | Iq4AZwcoMzw |
|---|---|
| InChI | InChI=1S/C8H9NO4S/c1-5(10)4-6(11)7-2-3-8(14-7)9(12)13/h2-3,6,11H,4H2,1H3/t6-/m1/s1 |
| InChIKey | XETLDABYFDLZIN-ZCFIWIBFSA-N |
| Mol Weight | 215.22 g/mol |
| Molecular Formula | C8H9NO4S |
| Exact Mass | 215.025229 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K2QRGZia2yY |
|---|---|
| Name | (R)-4-Hydroxy-4-(5-nitrothiophen-2-yl)butan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H9NO4S |
| InChI | InChI=1S/C8H9NO4S/c1-5(10)4-6(11)7-2-3-8(14-7)9(12)13/h2-3,6,11H,4H2,1H3/t6-/m1/s1 |
| InChIKey | XETLDABYFDLZIN-ZCFIWIBFSA-N |
| Molecular Weight | 215.223 g/mol |
| SMILES | O[C@@](c1sc(N(=O)=O)cc1)(CC(=O)C)[H] |
| SPLASH | splash10-0a4l-2900000000-073ffde9ab32ed770fbd |
| Source of Spectrum | F-68-4778-2h |
| Wiley ID | 1709006 |