| SpectraBase Compound ID | Bwp8WsYgUyf |
|---|---|
| InChI | InChI=1S/C10H16N2O7S/c1-17-7(13)4-11-8(14)6(12-9(15)18-2)5-20-10(16)19-3/h6H,4-5H2,1-3H3,(H,11,14)(H,12,15) |
| InChIKey | AHQDFOMGFRJRET-UHFFFAOYSA-N |
| Mol Weight | 308.31 g/mol |
| Molecular Formula | C10H16N2O7S |
| Exact Mass | 308.067822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqlInn34Cei |
|---|---|
| Name | cys-gly, N, S-di(Methoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.067822030 u |
| Formula | C10H16N2O7S |
| InChI | InChI=1S/C10H16N2O7S/c1-17-7(13)4-11-8(14)6(12-9(15)18-2)5-20-10(16)19-3/h6H,4-5H2,1-3H3,(H,11,14)(H,12,15) |
| InChIKey | AHQDFOMGFRJRET-UHFFFAOYSA-N |
| Molecular Weight | 308.305 g/mol |
| SMILES | C(C(NC(OC)=O)CSC(OC)=O)(=O)NCC(=O)OC |