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1,4-Bis((E)-2(S)-2-(tosyloxy)-4-decen-1-yloxy)benzene
SpectraBase Compound ID IUlvYxO3LND
InChI InChI=1S/C40H54O8S2/c1-5-7-9-11-13-15-17-37(47-49(41,42)39-27-19-33(3)20-28-39)31-45-35-23-25-36(26-24-35)46-32-38(18-16-14-12-10-8-6-2)48-50(43,44)40-29-21-34(4)22-30-40/h13-16,19-30,37-38H,5-12,17-18,31-32H2,1-4H3/b15-13+,16-14+/t37-,38-/m0/s1
InChIKey XRWGQWYDXAYHDR-OJXZHUIASA-N
Mol Weight 727.0 g/mol
Molecular Formula C40H54O8S2
Exact Mass 726.326011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bsx7izgHpr7
Name 1,4-Bis((E)-2(S)-2-(tosyloxy)-4-decen-1-yloxy)benzene
Alternate Name(s) (1S,3E)-1-({4-[((2S,4E)-2-{[(4-methylphenyl)sulfonyl]oxy}-4-decenyl)oxy]phenoxy}methyl)-3-nonenyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(E,2S)-1-[4-[(E,2S)-2-(4-methylphenyl)sulfonyloxydec-4-enoxy]phenoxy]dec-4-en-2-yl] ester [(E,1S)-1-[[4-[(E,2S)-2-(p-tolylsulfonyloxy)dec-4-enoxy]phenoxy]methyl]non-3-enyl] 4-methylbenzenesulfonate [(E,2S)-1-[4-[(E,2S)-2-(4-methylphenyl)sulfonyloxydec-4-enoxy]phenoxy]dec-4-en-2-yl] 4-methylbenzenesulfonate
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Formula C40H54O8S2
InChI InChI=1S/C40H54O8S2/c1-5-7-9-11-13-15-17-37(47-49(41,42)39-27-19-33(3)20-28-39)31-45-35-23-25-36(26-24-35)46-32-38(18-16-14-12-10-8-6-2)48-50(43,44)40-29-21-34(4)22-30-40/h13-16,19-30,37-38H,5-12,17-18,31-32H2,1-4H3/b15-13+,16-14+/t37-,38-/m0/s1
InChIKey XRWGQWYDXAYHDR-OJXZHUIASA-N
Molecular Weight 726.984 g/mol
SMILES [C@](OS(c1ccc(cc1)C)(=O)=O)(COc1ccc(OC[C@@](OS(c2ccc(cc2)C)(=O)=O)(C\C=C\CCCCC)[H])cc1)(C\C=C\CCCCC)[H]
SPLASH splash10-006x-8900000000-fd3d600ebadf188e01c1
Source of Spectrum J-63-1417-13
Wiley ID 1415808