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2,12-Bisisobutylsulfanyl-7-oxa-[5]-helicene

View entire compound with spectra: 1 MS (GC)

2,12-Bisisobutylsulfanyl-7-oxa-[5]-helicene
SpectraBase Compound ID 2Slc17I5xP9
InChI InChI=1S/C28H28OS2/c1-17(2)15-30-21-9-5-19-7-11-25-27(23(19)13-21)28-24-14-22(31-16-18(3)4)10-6-20(24)8-12-26(28)29-25/h5-14,17-18H,15-16H2,1-4H3
InChIKey FJFUKKCUUFHOJO-UHFFFAOYSA-N
Mol Weight 444.65 g/mol
Molecular Formula C28H28OS2
Exact Mass 444.158158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BPwtabNZwZ
Name 2,12-Bisisobutylsulfanyl-7-oxa-[5]-helicene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28OS2
InChI InChI=1S/C28H28OS2/c1-17(2)15-30-21-9-5-19-7-11-25-27(23(19)13-21)28-24-14-22(31-16-18(3)4)10-6-20(24)8-12-26(28)29-25/h5-14,17-18H,15-16H2,1-4H3
InChIKey FJFUKKCUUFHOJO-UHFFFAOYSA-N
Molecular Weight 444.651 g/mol
SMILES c12c3c(ccc4c3cc(SCC(C)C)cc4)oc2ccc2c1cc(SCC(C)C)cc2
SPLASH splash10-001i-0009200000-f37563f031e4f9fa701b
Source of Spectrum Y1-45-3070-1
Wiley ID 1622070