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Toluene-4-sulfonic acid, 4a-(2,4-dimethoxy-benzyl)-1,1-dimethyl-decahydro-naphthalen-2-yl ester
SpectraBase Compound ID LWT3GGdbnzY
InChI InChI=1S/C28H38O5S/c1-20-9-13-23(14-10-20)34(29,30)33-26-15-17-28(16-7-6-8-25(28)27(26,2)3)19-21-11-12-22(31-4)18-24(21)32-5/h9-14,18,25-26H,6-8,15-17,19H2,1-5H3
InChIKey NKPNRVRDRKMVDH-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C28H38O5S
Exact Mass 486.243995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cyjg3Bwj4l8
Name Toluene-4-sulfonic acid, 4a-(2,4-dimethoxy-benzyl)-1,1-dimethyl-decahydro-naphthalen-2-yl ester
Alternate Name(s) 4a-(2,4-Dimethoxybenzyl)-1,1-dimethyldecahydro-2-naphthalenyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [4a-[(2,4-dimethoxyphenyl)methyl]-1,1-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] ester [4a-[(2,4-dimethoxyphenyl)methyl]-1,1-dimethyl-decalin-2-yl] 4-methylbenzenesulfonate [4a-[(2,4-dimethoxyphenyl)methyl]-1,1-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] 4-methylbenzenesulfonate
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Formula C28H38O5S
InChI InChI=1S/C28H38O5S/c1-20-9-13-23(14-10-20)34(29,30)33-26-15-17-28(16-7-6-8-25(28)27(26,2)3)19-21-11-12-22(31-4)18-24(21)32-5/h9-14,18,25-26H,6-8,15-17,19H2,1-5H3
InChIKey NKPNRVRDRKMVDH-UHFFFAOYSA-N
Molecular Weight 486.667 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C(C2CCCCC2(CC1)Cc1c(cc(cc1)OC)OC)(C)C
SPLASH splash10-03kc-7932000000-ac4cee7e49d922c1dfb0
Source of Spectrum CM-1999-18013-0
Wiley ID 480367