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7,12-Dichloro-7,12-di(phenylsulfinyl)octadecane
SpectraBase Compound ID 54onLZFrEGZ
InChI InChI=1S/C30H44Cl2O2S2/c1-3-5-7-15-23-29(31,35(33)27-19-11-9-12-20-27)25-17-18-26-30(32,24-16-8-6-4-2)36(34)28-21-13-10-14-22-28/h9-14,19-22H,3-8,15-18,23-26H2,1-2H3
InChIKey FBPLAUYEGOXLND-UHFFFAOYSA-N
Mol Weight 571.7 g/mol
Molecular Formula C30H44Cl2O2S2
Exact Mass 570.215978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhINdjHgHeK
Name 7,12-Dichloro-7,12-di(phenylsulfinyl)octadecane
Alternate Name(s) {[1,6-dichloro-1-hexyl-6-(phenylsulfinyl)dodecyl]sulfinyl}benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44Cl2O2S2
InChI InChI=1S/C30H44Cl2O2S2/c1-3-5-7-15-23-29(31,35(33)27-19-11-9-12-20-27)25-17-18-26-30(32,24-16-8-6-4-2)36(34)28-21-13-10-14-22-28/h9-14,19-22H,3-8,15-18,23-26H2,1-2H3
InChIKey FBPLAUYEGOXLND-UHFFFAOYSA-N
Molecular Weight 571.706 g/mol
SMILES CCCCCCC(CCCCC(CCCCCC)(S(=O)c1ccccc1)Cl)(S(=O)c1ccccc1)Cl
SPLASH splash10-004i-9800000000-dacddafb2dd24d0b2602
Source of Spectrum F-57-499-27
Wiley ID 1549222