![BICYCLO[2.2.2]OCT-5-EN-2-ONE, 1,3,4-TRIMETHYL-3-[3-[(4-METHYLPHENYL)SULFONYL]PROPYL]-](/api/spectrum/W0IlMvrssJ/structure.png?h=300&w=458 "BICYCLO[2.2.2]OCT-5-EN-2-ONE, 1,3,4-TRIMETHYL-3-[3-[(4-METHYLPHENYL)SULFONYL]PROPYL]-")
| SpectraBase Compound ID | 4C3QC0yEICn |
|---|---|
| InChI | InChI=1S/C21H28O3S/c1-16-6-8-17(9-7-16)25(23,24)15-5-10-21(4)18(22)19(2)11-13-20(21,3)14-12-19/h6-9,11,13H,5,10,12,14-15H2,1-4H3/t19-,20+,21-/m1/s1 |
| InChIKey | MGXGSKZOSOXLHS-QHAWAJNXSA-N |
| Mol Weight | 360.51 g/mol |
| Molecular Formula | C21H28O3S |
| Exact Mass | 360.175916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | W0IlMvrssJ |
|---|---|
| Name | BICYCLO[2.2.2]OCT-5-EN-2-ONE, 1,3,4-TRIMETHYL-3-[3-[(4-METHYLPHENYL)SULFONYL]PROPYL]- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H28O3S |
| InChI | InChI=1S/C21H28O3S/c1-16-6-8-17(9-7-16)25(23,24)15-5-10-21(4)18(22)19(2)11-13-20(21,3)14-12-19/h6-9,11,13H,5,10,12,14-15H2,1-4H3/t19-,20+,21-/m1/s1 |
| InChIKey | MGXGSKZOSOXLHS-QHAWAJNXSA-N |
| Instrument Name | BRUKER AM-360 |
| NMR Standard | TMS |
| Solvent | CDCL3 |