| SpectraBase Compound ID | HEiGybrQf0V |
|---|---|
| InChI | InChI=1S/C7H14N2O4S2/c1-13-7(12)5(9)3-15-14-2-4(8)6(10)11/h4-5H,2-3,8-9H2,1H3,(H,10,11) |
| InChIKey | WQABAGNOIRGXHH-UHFFFAOYSA-N |
| Mol Weight | 254.32 g/mol |
| Molecular Formula | C7H14N2O4S2 |
| Exact Mass | 254.039499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvvjyIsYxJ5 |
|---|---|
| Name | Cystine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.039499283 u |
| Formula | C7H14N2O4S2 |
| InChI | InChI=1S/C7H14N2O4S2/c1-13-7(12)5(9)3-15-14-2-4(8)6(10)11/h4-5H,2-3,8-9H2,1H3,(H,10,11) |
| InChIKey | WQABAGNOIRGXHH-UHFFFAOYSA-N |
| Molecular Weight | 254.319 g/mol |
| SMILES | C(O)(C(CSSCC(C(OC)=O)N)N)=O |