| SpectraBase Compound ID | HXmdjAfVd89 |
|---|---|
| InChI | InChI=1S/C14H12N2O6S2/c17-15(18)13-5-1-11(2-6-13)9-21-23-24-22-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2 |
| InChIKey | VAAGCUOWXPGTQH-UHFFFAOYSA-N |
| Mol Weight | 368.38 g/mol |
| Molecular Formula | C14H12N2O6S2 |
| Exact Mass | 368.013678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8itk3bP3RdX |
|---|---|
| Name | di-(para-Nitrobenzyloxy)-disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.013678456 u |
| Formula | C14H12N2O6S2 |
| InChI | InChI=1S/C14H12N2O6S2/c17-15(18)13-5-1-11(2-6-13)9-21-23-24-22-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2 |
| InChIKey | VAAGCUOWXPGTQH-UHFFFAOYSA-N |
| Molecular Weight | 368.378 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(COSSOCC2=CC=C(N(=O)=O)C=C2)C=C1 |