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4H-Thiopyran-4-one, 2,6-dimethyl-, dimer
SpectraBase Compound ID Aoo8n1pALzP
InChI InChI=1S/C14H16O2S2/c1-11-7-5(15)9-13(3,17-11)10-6(16)8(11)12(7,2)18-14(9,10)4/h7-10H,1-4H3
InChIKey XAACBBHISRPHOP-UHFFFAOYSA-N
Mol Weight 280.4 g/mol
Molecular Formula C14H16O2S2
Exact Mass 280.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdN1lRwWNrx
Name 4H-Thiopyran-4-one, 2,6-dimethyl-, dimer
Alternate Name(s) 2,4,8,10-tetramethyl-3,9-dithiapentacyclo[6.4.0.0(2,7).0(4,11).0(5,10)]dodecane-6,12-dione 2,6-Dimethyl-4H-thiopyran-4-one head-to-tail cage dimer
CAS Registry Number 55649-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S2
InChI InChI=1S/C14H16O2S2/c1-11-7-5(15)9-13(3,17-11)10-6(16)8(11)12(7,2)18-14(9,10)4/h7-10H,1-4H3
InChIKey XAACBBHISRPHOP-UHFFFAOYSA-N
Molecular Weight 280.400 g/mol
SMILES C12(C3C(=O)C4C(S2)(C2C4(C)SC3(C1C2=O)C)C)C
SPLASH splash10-01ox-2910000000-2257c77277fc3b6ca07e
Source of Spectrum AJ-43-3207-1
Wiley ID 1283574