| SpectraBase Compound ID | BRXb5sMJj7i |
|---|---|
| InChI | InChI=1S/C20H31NO2S/c1-4-6-19-20(13-17-15(3)7-5-8-18(17)21-19)24(22,23)16-11-9-14(2)10-12-16/h9-12,15,17-21H,4-8,13H2,1-3H3/t15-,17+,18-,19-,20-/m1/s1 |
| InChIKey | WAACAPZWDCVEHO-HKUYMTLNSA-N |
| Mol Weight | 349.53 g/mol |
| Molecular Formula | C20H31NO2S |
| Exact Mass | 349.20755 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DW7l8Aytrcl |
|---|---|
| Name | 5-Methyl-2-propyl-3-(p-toluenesulfonyl)decahydroquinoline |
| Alternate Name(s) | (2R,3R,4aS,5R,8aR)-5-Methyl-2-propyl-3-(toluene-4-sulfonyl)-decahydro-quinoline 4-Methylphenyl 5-methyl-2-propyldecahydro-3-quinolinyl sulfone 5-Methyl-3-[(4-methylphenyl)sulfonyl]-2-propyldecahydroquinoline (2R,3R,4aS,5R,8aR)-5-methyl-2-propyl-3-(p-tolylsulfonyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (2R,3R,4aS,5R,8aR)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H31NO2S |
| InChI | InChI=1S/C20H31NO2S/c1-4-6-19-20(13-17-15(3)7-5-8-18(17)21-19)24(22,23)16-11-9-14(2)10-12-16/h9-12,15,17-21H,4-8,13H2,1-3H3/t15-,17+,18-,19-,20-/m1/s1 |
| InChIKey | WAACAPZWDCVEHO-HKUYMTLNSA-N |
| Molecular Weight | 349.533 g/mol |
| SMILES | N1[C@@]2(CCC[C@]([C@@]2(C[C@]([C@]1(CCC)[H])(S(c1ccc(cc1)C)(=O)=O)[H])[H])(C)[H])[H] |
| SPLASH | splash10-052f-9605000000-ec0f4364eddce2266bd5 |
| Source of Spectrum | J-63-6570-18 |
| Wiley ID | 1341423 |