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5,5-Dimethyl-1,3-dithian-2-ylcarboxylic acid
SpectraBase Compound ID 7fipssLMirJ
InChI InChI=1S/C7H12O2S2/c1-7(2)3-10-6(5(8)9)11-4-7/h6H,3-4H2,1-2H3,(H,8,9)
InChIKey WXSFMICCYXEHOV-UHFFFAOYSA-N
Mol Weight 192.29 g/mol
Molecular Formula C7H12O2S2
Exact Mass 192.027872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVJ49hBG15S
Name 5,5-Dimethyl-1,3-dithian-2-ylcarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2S2
InChI InChI=1S/C7H12O2S2/c1-7(2)3-10-6(5(8)9)11-4-7/h6H,3-4H2,1-2H3,(H,8,9)
InChIKey WXSFMICCYXEHOV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.520030527
Molecular Weight 192.291 g/mol
SMILES OC(=O)C1SCC(CS1)(C)C
SPLASH splash10-0005-9600000000-f0cdce5313960146b390
Source of Spectrum HAC-3-629-3
Synonyms 5,5-Dimethyl-1,3-dithiane-2-carboxylic acid
Wiley ID 1801366