![4-[p-(1,3-dithiolan-2-yl)phenoxy]-3-nitrobenzoic acid, ethyl ester](/api/spectrum/LU6pNvhXtMm/structure.png?h=300&w=458 "4-[p-(1,3-dithiolan-2-yl)phenoxy]-3-nitrobenzoic acid, ethyl ester")
| SpectraBase Compound ID | EdsHKPbw93M |
|---|---|
| InChI | InChI=1S/C18H17NO5S2/c1-2-23-17(20)13-5-8-16(15(11-13)19(21)22)24-14-6-3-12(4-7-14)18-25-9-10-26-18/h3-8,11,18H,2,9-10H2,1H3 |
| InChIKey | SOBBKZLOYQLZPI-UHFFFAOYSA-N |
| Mol Weight | 391.46 g/mol |
| Molecular Formula | C18H17NO5S2 |
| Exact Mass | 391.054815 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LU6pNvhXtMm |
|---|---|
| Name | 4-[p-(1,3-dithiolan-2-yl)phenoxy]-3-nitrobenzoic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H17NO5S2 |
| InChI | InChI=1S/C18H17NO5S2/c1-2-23-17(20)13-5-8-16(15(11-13)19(21)22)24-14-6-3-12(4-7-14)18-25-9-10-26-18/h3-8,11,18H,2,9-10H2,1H3 |
| InChIKey | SOBBKZLOYQLZPI-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58694M |
| Solvent | CDCl3 |