| SpectraBase Compound ID | B3DqqfnhULi |
|---|---|
| InChI | InChI=1S/C19H27NO4S/c1-14-7-9-18(10-8-14)25(22,23)20-13-16-6-4-3-5-15(16)11-17(20)12-19(21)24-2/h7-10,15-17H,3-6,11-13H2,1-2H3 |
| InChIKey | UMLPOYGTNIGRLX-UHFFFAOYSA-N |
| Mol Weight | 365.49 g/mol |
| Molecular Formula | C19H27NO4S |
| Exact Mass | 365.16608 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2vliWHQrg7R |
|---|---|
| Name | Perhydroisoquinolin-3-acetic acid, 2-(4-methylphenyl)sulfonyl-, methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H27NO4S |
| InChI | InChI=1S/C19H27NO4S/c1-14-7-9-18(10-8-14)25(22,23)20-13-16-6-4-3-5-15(16)11-17(20)12-19(21)24-2/h7-10,15-17H,3-6,11-13H2,1-2H3 |
| InChIKey | UMLPOYGTNIGRLX-UHFFFAOYSA-N |
| Molecular Weight | 365.488 g/mol |
| SMILES | C12C(CCCC2)CN(C(C1)CC(=O)OC)S(=O)(=O)c1ccc(C)cc1 |
| SPLASH | splash10-01ox-9670000000-ec1e46f2b26d1f1a3c58 |
| Synonyms | 2-(2-tosyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl)acetic acid methyl ester 2-[2-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]acetic acid methyl ester Methyl (2-[(4-methylphenyl)sulfonyl]decahydro-3-isoquinolinyl)acetate Methyl 2-[2-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]acetate Methyl 2-[2-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]ethanoate Methyl 2-[2-(p-tolylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]acetate |
| Wiley ID | 1479618 |