![[(4-Morpholinylcarbothioyl)sulfanyl]acetic acid](/api/spectrum/Kd1Q2nIJvh3/structure.png?h=300&w=458 "[(4-Morpholinylcarbothioyl)sulfanyl]acetic acid")
| SpectraBase Compound ID | 3pY3i3RpAoe |
|---|---|
| InChI | InChI=1S/C7H11NO3S2/c9-6(10)5-13-7(12)8-1-3-11-4-2-8/h1-5H2,(H,9,10) |
| InChIKey | JCECLSATASZQQB-UHFFFAOYSA-N |
| Mol Weight | 221.29 g/mol |
| Molecular Formula | C7H11NO3S2 |
| Exact Mass | 221.018036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kd1Q2nIJvh3 |
|---|---|
| Name | [(4-Morpholinylcarbothioyl)sulfanyl]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.018035563 u |
| Formula | C7H11NO3S2 |
| InChI | InChI=1S/C7H11NO3S2/c9-6(10)5-13-7(12)8-1-3-11-4-2-8/h1-5H2,(H,9,10) |
| InChIKey | JCECLSATASZQQB-UHFFFAOYSA-N |
| Molecular Weight | 221.289 g/mol |
| SMILES | C(SC(=S)N1CCOCC1)C(=O)O |