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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 9OtpnQ9Nhnx
Name TOLUENE-4-SULFONIC ACID 4A-(2,4-DIMETHOXY-BENZYL)-1,1-DIMETHYLDECAHYDRONAPHTHALEN-2-YL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 486.2430
SMILES Cc1ccc(S(OC2CCC3(C(CCCC3)C2(C)C)Cc2ccc(OC)cc2OC)(=O)=O)cc1
SPLASH splash10-03kc-7932000000-ac4cee7e49d922c1dfb0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany