| SpectraBase Compound ID | 1oex6JTFi2f |
|---|---|
| InChI | InChI=1S/C14H18N2O6S/c17-14(18)6-4-2-1-3-5-9-23-13-8-7-11(15(19)20)10-12(13)16(21)22/h7-8,10H,1-6,9H2,(H,17,18) |
| InChIKey | QINLGMVCHFLKEV-UHFFFAOYSA-N |
| Mol Weight | 342.37 g/mol |
| Molecular Formula | C14H18N2O6S |
| Exact Mass | 342.088557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7SaRo19xzP |
|---|---|
| Name | 4H-1,3-Dioxin, acetamide deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.088557476 u |
| Formula | C14H18N2O6S |
| InChI | InChI=1S/C14H18N2O6S/c17-14(18)6-4-2-1-3-5-9-23-13-8-7-11(15(19)20)10-12(13)16(21)22/h7-8,10H,1-6,9H2,(H,17,18) |
| InChIKey | QINLGMVCHFLKEV-UHFFFAOYSA-N |
| Molecular Weight | 342.366 g/mol |
| Nominal Mass | 342 u |
| SMILES | OC(=O)CCCCCCCSc1c(cc(cc1)N(=O)=O)N(=O)=O |