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4,4-Dicarbomethoxyl-2-methyl-8-p-toluenesulfonylocta-1,6-diene
SpectraBase Compound ID BKYh5Wv5eps
InChI InChI=1S/C20H26O6S/c1-15(2)14-20(18(21)25-4,19(22)26-5)12-6-7-13-27(23,24)17-10-8-16(3)9-11-17/h6-11H,1,12-14H2,2-5H3/b7-6+
InChIKey WKBZMHROOUGFRC-VOTSOKGWSA-N
Mol Weight 394.48 g/mol
Molecular Formula C20H26O6S
Exact Mass 394.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kQHk5csFxM
Name 4,4-Dicarbomethoxyl-2-methyl-8-p-toluenesulfonylocta-1,6-diene
Alternate Name(s) Dimethyl 2-{(2E)-4-[(4-methylphenyl)sulfonyl]-2-butenyl}-2-(2-methyl-2-propenyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O6S
InChI InChI=1S/C20H26O6S/c1-15(2)14-20(18(21)25-4,19(22)26-5)12-6-7-13-27(23,24)17-10-8-16(3)9-11-17/h6-11H,1,12-14H2,2-5H3/b7-6+
InChIKey WKBZMHROOUGFRC-VOTSOKGWSA-N
Molecular Weight 394.482 g/mol
SMILES C(C(=O)OC)(C(=O)OC)(CC(=C)C)C\C=C\CS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-002r-0591000000-adcd9b5c740441e562d8
Source of Spectrum QA-37-91-2
Wiley ID 861122