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(4R)-4-((Z)-buta-1,3-dien-1-yl)-2,2-dimethyl-5-((phenylthio)methyl)-1,3-dioxolane
SpectraBase Compound ID BIBZljviNAH
InChI InChI=1S/C16H20O2S/c1-4-5-11-14-15(18-16(2,3)17-14)12-19-13-9-7-6-8-10-13/h4-11,14-15H,1,12H2,2-3H3/b11-5-/t14-,15-/m1/s1
InChIKey MRGVRGFNUAFGQW-ILSYHXBVSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XBlUw9RvQW
Name (4R)-4-((Z)-buta-1,3-dien-1-yl)-2,2-dimethyl-5-((phenylthio)methyl)-1,3-dioxolane
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Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-4-5-11-14-15(18-16(2,3)17-14)12-19-13-9-7-6-8-10-13/h4-11,14-15H,1,12H2,2-3H3/b11-5-/t14-,15-/m1/s1
InChIKey MRGVRGFNUAFGQW-ILSYHXBVSA-N
Literature Reference DOI 10.1021/ol900799e
Molecular Weight 276.394 g/mol
SMILES C1(C)(O[C@@]([C@](O1)(CSc1ccccc1)[H])(\C=C/C=C)[H])C
SPLASH splash10-0ab9-0910000000-18344eaf93978abc8e46
Source of Spectrum A1-11-2687/SMS3-9
Synonyms (4R,5S)-4-[(1Z)-buta-1,3-dienyl]-2,2-dimethyl-5-(phenylsulfanylmethyl)-1,3-dioxolane
Wiley ID 1756819