| SpectraBase Compound ID | DUv8xI5xC84 |
|---|---|
| InChI | InChI=1S/C13H23NO3S3/c1-18-8-7-11(13(16)17)14-12(15)5-3-2-4-10-6-9-19-20-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | FFMXBKIVHPZABY-UHFFFAOYSA-N |
| Mol Weight | 337.51 g/mol |
| Molecular Formula | C13H23NO3S3 |
| Exact Mass | 337.084007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vFqIVPWvc9 |
|---|---|
| Name | N-(5-(1,2-Dithiolan-3-yl)valeryl)-dl-methionine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.084007124 u |
| Formula | C13H23NO3S3 |
| InChI | InChI=1S/C13H23NO3S3/c1-18-8-7-11(13(16)17)14-12(15)5-3-2-4-10-6-9-19-20-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | FFMXBKIVHPZABY-UHFFFAOYSA-N |
| Molecular Weight | 337.511 g/mol |
| SMILES | CSCCC(C(O)=O)NC(CCCCC1SSCC1)=O |