![5H-INDEN-5-ONE, 1-(1,1-DIMETHYLETHOXY)OCTAHYDRO-4-[2-(3-METHOXYPHENYL)-1-(PHENYLTHIO)ETHYL]-7a-METHYL-](/api/spectrum/7qUqDulM2S1/structure.png?h=300&w=458 "5H-INDEN-5-ONE, 1-(1,1-DIMETHYLETHOXY)OCTAHYDRO-4-[2-(3-METHOXYPHENYL)-1-(PHENYLTHIO)ETHYL]-7a-METHYL-")
| SpectraBase Compound ID | ILkXVDdIwAr |
|---|---|
| InChI | InChI=1S/C29H38O3S/c1-28(2,3)32-26-15-14-23-27(24(30)16-17-29(23,26)4)25(33-22-12-7-6-8-13-22)19-20-10-9-11-21(18-20)31-5/h6-13,18,23,25-27H,14-17,19H2,1-5H3 |
| InChIKey | IHYJHSQJOJVGAQ-UHFFFAOYSA-N |
| Mol Weight | 466.7 g/mol |
| Molecular Formula | C29H38O3S |
| Exact Mass | 466.254166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qUqDulM2S1 |
|---|---|
| Name | 5H-INDEN-5-ONE, 1-(1,1-DIMETHYLETHOXY)OCTAHYDRO-4-[2-(3-METHOXYPHENYL)-1-(PHENYLTHIO)ETHYL]-7a-METHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H38O3S |
| InChI | InChI=1S/C29H38O3S/c1-28(2,3)32-26-15-14-23-27(24(30)16-17-29(23,26)4)25(33-22-12-7-6-8-13-22)19-20-10-9-11-21(18-20)31-5/h6-13,18,23,25-27H,14-17,19H2,1-5H3 |
| InChIKey | IHYJHSQJOJVGAQ-UHFFFAOYSA-N |
| Instrument Name | VARIAN XL-200 |
| Solvent | CDCL3 |