| SpectraBase Compound ID | 9hqJGsjdmnu |
|---|---|
| InChI | InChI=1S/C9H17NO3S/c1-4-6(2)13-9(12)8(5-14)10-7(3)11/h6,8,14H,4-5H2,1-3H3,(H,10,11) |
| InChIKey | ZBKCOTWCQCJDFB-UHFFFAOYSA-N |
| Mol Weight | 219.3 g/mol |
| Molecular Formula | C9H17NO3S |
| Exact Mass | 219.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A57A1IlhYTw |
|---|---|
| Name | N-Acetyl-L-cysteine, 2-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.092914582 u |
| Formula | C9H17NO3S |
| InChI | InChI=1S/C9H17NO3S/c1-4-6(2)13-9(12)8(5-14)10-7(3)11/h6,8,14H,4-5H2,1-3H3,(H,10,11) |
| InChIKey | ZBKCOTWCQCJDFB-UHFFFAOYSA-N |
| Molecular Weight | 219.299 g/mol |
| SMILES | C(C(OC(CC)C)=O)(NC(=O)C)CS |