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(Ss*,R*)-1-[2-(2,4,6-Triisopropylphenyl)sulfinyl]phenyl-3-buten-1-ol
SpectraBase Compound ID 5IMBgKMgdJi
InChI InChI=1S/C25H34O2S/c1-5-11-19-17-20(12-6-2)25(21(18-19)13-7-3)28(27)24-16-10-9-15-22(24)23(26)14-8-4/h8-10,15-18,23,26H,4-7,11-14H2,1-3H3/t23-,28?/m1/s1
InChIKey WWSRVQSVRQBBFZ-YFIOFSHDSA-N
Mol Weight 398.6 g/mol
Molecular Formula C25H34O2S
Exact Mass 398.227952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmWZjgx87Nd
Name (Ss*,R*)-1-[2-(2,4,6-Triisopropylphenyl)sulfinyl]phenyl-3-buten-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C25H34O2S
InChI InChI=1S/C25H34O2S/c1-5-11-19-17-20(12-6-2)25(21(18-19)13-7-3)28(27)24-16-10-9-15-22(24)23(26)14-8-4/h8-10,15-18,23,26H,4-7,11-14H2,1-3H3/t23-,28?/m1/s1
InChIKey WWSRVQSVRQBBFZ-YFIOFSHDSA-N
Molecular Weight 398.605 g/mol
SMILES O[C@@](c1c([S@@](c2c(cc(cc2CCC)CCC)CCC)=O)cccc1)(CC=C)[H]
SPLASH splash10-0006-0090000000-5383717523b8acf321ad
Source of Spectrum KC-57-8478-11
Wiley ID 1626022