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1,3-Dioxolane, 4-[bis[(4-methylphenyl)thio]methyl]-5-(4-methoxyphenyl)-2,2-dimethyl-, (4S-trans)-
SpectraBase Compound ID 17gSxufhevx
InChI InChI=1S/C27H30O3S2/c1-18-6-14-22(15-7-18)31-26(32-23-16-8-19(2)9-17-23)25-24(29-27(3,4)30-25)20-10-12-21(28-5)13-11-20/h6-17,24-26H,1-5H3/t24-,25+/m1/s1
InChIKey AOOYNKBXPYUJOO-RPBOFIJWSA-N
Mol Weight 466.65 g/mol
Molecular Formula C27H30O3S2
Exact Mass 466.163637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sR9wDQeTge
Name 1,3-Dioxolane, 4-[bis[(4-methylphenyl)thio]methyl]-5-(4-methoxyphenyl)-2,2-dimethyl-, (4S-trans)-
CAS Registry Number 130796-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O3S2
InChI InChI=1S/C27H30O3S2/c1-18-6-14-22(15-7-18)31-26(32-23-16-8-19(2)9-17-23)25-24(29-27(3,4)30-25)20-10-12-21(28-5)13-11-20/h6-17,24-26H,1-5H3/t24-,25+/m1/s1
InChIKey AOOYNKBXPYUJOO-RPBOFIJWSA-N
Molecular Weight 466.654 g/mol
SMILES [C@]1(C(Sc2ccc(cc2)C)Sc2ccc(cc2)C)([C@](OC(O1)(C)C)(c1ccc(cc1)OC)[H])[H]
SPLASH splash10-0aba-0970000000-3bd6a422fd8e69168286
Source of Spectrum B-43-1207-0
Synonyms (4S,5R)-4-{bis[(4-methylphenyl)sulfanyl]methyl}-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolane (4S,5R)-trans-4-[bis(p-tolylthio)methyl]-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan 4-((4R,5S)-5-{bis[(4-methylphenyl)sulfanyl]methyl}-2,2-dimethyl-1,3-dioxolan-4-yl)phenyl methyl ether
Wiley ID 1391983