| SpectraBase Compound ID | 3kOgMlpwKnQ |
|---|---|
| InChI | InChI=1S/C14H18N2O5S2/c17-12(15-11(8-23)13(18)19)10(7-22)16-14(20)21-6-9-4-2-1-3-5-9/h1-5,10-11,22-23H,6-8H2,(H,15,17)(H,16,20)(H,18,19) |
| InChIKey | OUVGPRLBHVKZIN-UHFFFAOYSA-N |
| Mol Weight | 358.43 g/mol |
| Molecular Formula | C14H18N2O5S2 |
| Exact Mass | 358.065714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ImYHQ0Wazu |
|---|---|
| Name | N-Carbobenzyloxy-cysteinylcysteine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.065714031 u |
| Formula | C14H18N2O5S2 |
| InChI | InChI=1S/C14H18N2O5S2/c17-12(15-11(8-23)13(18)19)10(7-22)16-14(20)21-6-9-4-2-1-3-5-9/h1-5,10-11,22-23H,6-8H2,(H,15,17)(H,16,20)(H,18,19) |
| InChIKey | OUVGPRLBHVKZIN-UHFFFAOYSA-N |
| Molecular Weight | 358.427 g/mol |
| SMILES | C(O)(C(CS)NC(=O)C(NC(=O)OCC1=CC=CC=C1)CS)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861961 |