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1,4-Oxathiocin, 5,6,7,8-tetrachloro-2-methyl-3-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID 7fu6Ber12vi
InChI InChI=1S/C14H10Cl4O3S2/c1-7-3-5-9(6-4-7)23(19,20)14-8(2)21-12(17)10(15)11(16)13(18)22-14/h3-6H,1-2H3/b12-10+,13-11+,14-8+
InChIKey KMADOBABAZWTTK-QBSOVRHISA-N
Mol Weight 432.2 g/mol
Molecular Formula C14H10Cl4O3S2
Exact Mass 429.882547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VMnPkcm8HF
Name 1,4-Oxathiocin, 5,6,7,8-tetrachloro-2-methyl-3-[(4-methylphenyl)sulfonyl]-
CAS Registry Number 117130-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10Cl4O3S2
InChI InChI=1S/C14H10Cl4O3S2/c1-7-3-5-9(6-4-7)23(19,20)14-8(2)21-12(17)10(15)11(16)13(18)22-14/h3-6H,1-2H3/b12-10+,13-11+,14-8+
InChIKey KMADOBABAZWTTK-QBSOVRHISA-N
Molecular Weight 432.163 g/mol
SMILES c1(S(\C=2S\C(=C/(Cl)\C(=C/(OC\2C)Cl)Cl)Cl)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9040000000-864dba92b39bbccf09b9
Source of Spectrum J-54-4827-3
Synonyms 2-Methyl-3-(p-tolylsulfonyl)-5,6,7,8-tetrachloro-1,4-oxathiocine 4-Methylphenyl 5,6,7,8-tetrachloro-2-methyl-1,4-oxathiocin-3-yl sulfone 5,6,7,8-tetrachloro-2-methyl-3-[(4-methylphenyl)sulfonyl]-1,4-oxathiocin
Wiley ID 1381333