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4H-Thiopyran-4-one, 2,6-dimethyl-, 1-oxide, dimer
SpectraBase Compound ID FDRbCmhIu7Y
InChI InChI=1S/C14H16O4S2/c1-7-5-9(15)11-13(3,19(7)17)12-10(16)6-8(2)20(18)14(11,12)4/h5-6,11-12H,1-4H3
InChIKey IZZQADWUMNCTAX-UHFFFAOYSA-N
Mol Weight 312.4 g/mol
Molecular Formula C14H16O4S2
Exact Mass 312.049001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KC2WMsAaVBa
Name 4H-Thiopyran-4-one, 2,6-dimethyl-, 1-oxide, dimer
CAS Registry Number 55649-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4S2
InChI InChI=1S/C14H16O4S2/c1-7-5-9(15)11-13(3,19(7)17)12-10(16)6-8(2)20(18)14(11,12)4/h5-6,11-12H,1-4H3
InChIKey IZZQADWUMNCTAX-UHFFFAOYSA-N
Molecular Weight 312.398 g/mol
SMILES C1=C(S(C2(C(C1=O)C1(C2C(C=C(S1=O)C)=O)C)C)=O)C
SPLASH splash10-03di-4910000000-409ddd0b4f3ffb107272
Source of Spectrum W5-27977-0-0
Wiley ID 1312934