![5H-INDEN-5-ONE, 1-(1,1-DIMETHYLETHOXY)OCTAHYDRO-7a-METHYL-4-[2-PHENYL-1-(PHENYLTHIO)ETHYL]-](/api/spectrum/K0oR71OpjX3/structure.png?h=300&w=458 "5H-INDEN-5-ONE, 1-(1,1-DIMETHYLETHOXY)OCTAHYDRO-7a-METHYL-4-[2-PHENYL-1-(PHENYLTHIO)ETHYL]-")
| SpectraBase Compound ID | 91FAvOmdxEr |
|---|---|
| InChI | InChI=1S/C28H36O2S/c1-27(2,3)30-25-16-15-22-26(23(29)17-18-28(22,25)4)24(19-20-11-7-5-8-12-20)31-21-13-9-6-10-14-21/h5-14,22,24-26H,15-19H2,1-4H3 |
| InChIKey | ISIYSOJMGLZBRM-UHFFFAOYSA-N |
| Mol Weight | 436.7 g/mol |
| Molecular Formula | C28H36O2S |
| Exact Mass | 436.243602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K0oR71OpjX3 |
|---|---|
| Name | 5H-INDEN-5-ONE, 1-(1,1-DIMETHYLETHOXY)OCTAHYDRO-7a-METHYL-4-[2-PHENYL-1-(PHENYLTHIO)ETHYL]- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H36O2S |
| InChI | InChI=1S/C28H36O2S/c1-27(2,3)30-25-16-15-22-26(23(29)17-18-28(22,25)4)24(19-20-11-7-5-8-12-20)31-21-13-9-6-10-14-21/h5-14,22,24-26H,15-19H2,1-4H3 |
| InChIKey | ISIYSOJMGLZBRM-UHFFFAOYSA-N |
| Instrument Name | VARIAN XL-200 |
| Solvent | CDCL3 |