| SpectraBase Compound ID | 3vYRzfahDF7 |
|---|---|
| InChI | InChI=1S/C23H26O6S/c1-4-28-22(24)19-14-16-8-6-7-9-18(16)21(20(19)23(25)29-5-2)30(26,27)17-12-10-15(3)11-13-17/h6-13,19-21H,4-5,14H2,1-3H3/t19-,20+,21-/m1/s1 |
| InChIKey | GWNFEDRGBBIUNF-QHAWAJNXSA-N |
| Mol Weight | 430.52 g/mol |
| Molecular Formula | C23H26O6S |
| Exact Mass | 430.14501 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ctk21FcR68T |
|---|---|
| Name | Diethyl 1,2,3,4-tetrahydro-1-(p-tolylsulfonyl)-2,3-naphthalenedicarboxylate isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H26O6S |
| InChI | InChI=1S/C23H26O6S/c1-4-28-22(24)19-14-16-8-6-7-9-18(16)21(20(19)23(25)29-5-2)30(26,27)17-12-10-15(3)11-13-17/h6-13,19-21H,4-5,14H2,1-3H3/t19-,20+,21-/m1/s1 |
| InChIKey | GWNFEDRGBBIUNF-QHAWAJNXSA-N |
| Molecular Weight | 430.515 g/mol |
| SMILES | [C@@]1(S(c2ccc(cc2)C)(=O)=O)([C@]([C@](C(=O)OCC)(Cc2c1cccc2)[H])(C(=O)OCC)[H])[H] |
| SPLASH | splash10-004i-0690000000-575abc37f7282944d21e |
| Source of Spectrum | J-63-2090-18 |
| Synonyms | (1S,2R,3R)-Diethyl 1,2,3,4-tetrahydro-1-(p-tolylsulfonyl)-2,3-naphthalenedicarboxylate isomer Diethyl 1-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-2,3-naphthalenedicarboxylate (1S,2R,3R)-1-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylic acid diethyl ester Diethyl (1S,2R,3R)-1-(p-tolylsulfonyl)tetralin-2,3-dicarboxylate Diethyl (1S,2R,3R)-1-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate |
| Wiley ID | 1381497 |