![3-BUTEN-2-ONE, 3-[(4-NITROBENZOYL)OXY]-4-(PHENYLTHIO)-](/api/spectrum/6xBTjcd2sPx/structure.png?h=300&w=458 "3-BUTEN-2-ONE, 3-[(4-NITROBENZOYL)OXY]-4-(PHENYLTHIO)-")
| SpectraBase Compound ID | 7GUnXHlN1nf |
|---|---|
| InChI | InChI=1S/C17H13NO5S/c1-12(19)16(11-24-15-5-3-2-4-6-15)23-17(20)13-7-9-14(10-8-13)18(21)22/h2-11H,1H3/b16-11- |
| InChIKey | CBTNUHPCNAMKRT-WJDWOHSUSA-N |
| Mol Weight | 343.35 g/mol |
| Molecular Formula | C17H13NO5S |
| Exact Mass | 343.051444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xBTjcd2sPx |
|---|---|
| Name | 3-BUTEN-2-ONE, 3-[(4-NITROBENZOYL)OXY]-4-(PHENYLTHIO)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H13NO5S |
| InChI | InChI=1S/C17H13NO5S/c1-12(19)16(11-24-15-5-3-2-4-6-15)23-17(20)13-7-9-14(10-8-13)18(21)22/h2-11H,1H3/b16-11- |
| InChIKey | CBTNUHPCNAMKRT-WJDWOHSUSA-N |
| Instrument Name | VARIAN GEMINI-300 |
| NMR Standard | TMS |
| Solvent | DMSO |