| SpectraBase Compound ID | 8VaJipAuwFS |
|---|---|
| InChI | InChI=1S/C13H25NO3S/c1-6-9(3)17-13(16)12(14-11(5)15)8-18-10(4)7-2/h9-10,12H,6-8H2,1-5H3,(H,14,15) |
| InChIKey | QMPWYJKMFOWAJF-UHFFFAOYSA-N |
| Mol Weight | 275.41 g/mol |
| Molecular Formula | C13H25NO3S |
| Exact Mass | 275.155515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uVI9GHHDNU |
|---|---|
| Name | N-Acetyl-S-(2-butyl)-L-cysteine, 2-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.155514840 u |
| Formula | C13H25NO3S |
| InChI | InChI=1S/C13H25NO3S/c1-6-9(3)17-13(16)12(14-11(5)15)8-18-10(4)7-2/h9-10,12H,6-8H2,1-5H3,(H,14,15) |
| InChIKey | QMPWYJKMFOWAJF-UHFFFAOYSA-N |
| SMILES | C(C(OC(CC)C)=O)(NC(=O)C)CSC(CC)C |