| SpectraBase Compound ID | 8GGbcliXn7D |
|---|---|
| InChI | InChI=1S/C10H17NO6S/c1-4-16-9(13)11-7(8(12)15-3)6-18-10(14)17-5-2/h7H,4-6H2,1-3H3,(H,11,13) |
| InChIKey | LJXWSNIDRRLWOB-UHFFFAOYSA-N |
| Mol Weight | 279.31 g/mol |
| Molecular Formula | C10H17NO6S |
| Exact Mass | 279.077658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9GoITbSvaKU |
|---|---|
| Name | Cysteine, N,S-bis(ethoxycarbonyl)- , methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.077658439 u |
| Formula | C10H17NO6S |
| InChI | InChI=1S/C10H17NO6S/c1-4-16-9(13)11-7(8(12)15-3)6-18-10(14)17-5-2/h7H,4-6H2,1-3H3,(H,11,13) |
| InChIKey | LJXWSNIDRRLWOB-UHFFFAOYSA-N |
| SMILES | CCOC(NC(C(OC)=O)CSC(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950504 |