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1,4-Oxathiocin-3-carboxylic acid, 5,6,7,8-tetrachloro-2-methyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID 5W01iDeG0WI
InChI InChI=1S/C12H12Cl4O3S/c1-5-8(11(17)19-12(2,3)4)20-10(16)7(14)6(13)9(15)18-5/h1-4H3/b8-5-,9-6+,10-7+
InChIKey SGPXPOSZOKCFSY-BOHRHADZSA-N
Mol Weight 378.1 g/mol
Molecular Formula C12H12Cl4O3S
Exact Mass 375.926126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBdVRdbR0l7
Name 1,4-Oxathiocin-3-carboxylic acid, 5,6,7,8-tetrachloro-2-methyl-, 1,1-dimethylethyl ester
CAS Registry Number 117112-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12Cl4O3S
InChI InChI=1S/C12H12Cl4O3S/c1-5-8(11(17)19-12(2,3)4)20-10(16)7(14)6(13)9(15)18-5/h1-4H3/b8-5-,9-6+,10-7+
InChIKey SGPXPOSZOKCFSY-BOHRHADZSA-N
Molecular Weight 378.097 g/mol
SMILES C\C=1O\C(=C/(\C(=C/(SC/1C(OC(C)(C)C)=O)Cl)Cl)Cl)Cl
SPLASH splash10-0006-9000000000-6e75a54952e726219561
Source of Spectrum J-54-4826-3
Synonyms 2-Methyl-3-(tert-butoxycarbonyl)-5,6,7,8-tetrachloro-1,4-oxathiocne tert-Butyl 5,6,7,8-tetrachloro-2-methyl-1,4-oxathiocin-3-carboxylate
Wiley ID 1357392