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Propanedioic acid, [(4-methylphenyl)[(4-methylphenyl)thio]methylene]-, 1,1-dimethylethyl methyl ester, (Z)-
SpectraBase Compound ID HkgJmYepl6V
InChI InChI=1S/C23H26O4S/c1-15-7-11-17(12-8-15)20(28-18-13-9-16(2)10-14-18)19(21(24)26-6)22(25)27-23(3,4)5/h7-14H,1-6H3/b20-19-
InChIKey ICEJNVGLGFDJKY-VXPUYCOJSA-N
Mol Weight 398.52 g/mol
Molecular Formula C23H26O4S
Exact Mass 398.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gbICKELuOm
Name Propanedioic acid, [(4-methylphenyl)[(4-methylphenyl)thio]methylene]-, 1,1-dimethylethyl methyl ester, (Z)-
CAS Registry Number 106098-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O4S
InChI InChI=1S/C23H26O4S/c1-15-7-11-17(12-8-15)20(28-18-13-9-16(2)10-14-18)19(21(24)26-6)22(25)27-23(3,4)5/h7-14H,1-6H3/b20-19-
InChIKey ICEJNVGLGFDJKY-VXPUYCOJSA-N
Molecular Weight 398.517 g/mol
SMILES c1(S\C(=C/(C(OC(C)(C)C)=O)C(=O)OC)c2ccc(cc2)C)ccc(cc1)C
SPLASH splash10-0693-0391000000-94859b72668a568fe9de
Source of Spectrum J-51-4129-0
Synonyms Z-1-(p-methylphenyl)-thio-1-(p-methylphenyl)-2-methoxycarbonyl-2-(t-butoxycarbonyl)-ethane
Wiley ID 1368455