![3-BUTEN-2-ONE, 3-[(4-NITROBENZOYL)OXY]-4-(PROPYLTHIO)-](/api/spectrum/6tCQzZANnf7/structure.png?h=300&w=458 "3-BUTEN-2-ONE, 3-[(4-NITROBENZOYL)OXY]-4-(PROPYLTHIO)-")
| SpectraBase Compound ID | AKXxS7Uj93 |
|---|---|
| InChI | InChI=1S/C14H15NO5S/c1-3-8-21-9-13(10(2)16)20-14(17)11-4-6-12(7-5-11)15(18)19/h4-7,9H,3,8H2,1-2H3/b13-9- |
| InChIKey | RVCDCHZDRHVWSX-LCYFTJDESA-N |
| Mol Weight | 309.34 g/mol |
| Molecular Formula | C14H15NO5S |
| Exact Mass | 309.067094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tCQzZANnf7 |
|---|---|
| Name | 3-BUTEN-2-ONE, 3-[(4-NITROBENZOYL)OXY]-4-(PROPYLTHIO)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C14H15NO5S |
| InChI | InChI=1S/C14H15NO5S/c1-3-8-21-9-13(10(2)16)20-14(17)11-4-6-12(7-5-11)15(18)19/h4-7,9H,3,8H2,1-2H3/b13-9- |
| InChIKey | RVCDCHZDRHVWSX-LCYFTJDESA-N |
| Instrument Name | VARIAN GEMINI-300 |
| NMR Standard | TMS |
| Solvent | DMSO |