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Propynyl 7-(2,4,6-trimethylphenyl)-5H-thieno[2,3-c]thiopyran-4-carboxylate
SpectraBase Compound ID AfKIuD4EXJG
InChI InChI=1S/C20H18O2S2/c1-5-7-22-20(21)16-11-24-19(18-15(16)6-8-23-18)17-13(3)9-12(2)10-14(17)4/h6,8-10H,11H2,1-4H3
InChIKey QNYNQJWMHGSZES-UHFFFAOYSA-N
Mol Weight 354.48 g/mol
Molecular Formula C20H18O2S2
Exact Mass 354.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbkRTVSRcm
Name Propynyl 7-(2,4,6-trimethylphenyl)-5H-thieno[2,3-c]thiopyran-4-carboxylate
Alternate Name(s) 1-propynyl 7-mesityl-5H-thieno[2,3-c]thiopyran-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C20H18O2S2
InChI InChI=1S/C20H18O2S2/c1-5-7-22-20(21)16-11-24-19(18-15(16)6-8-23-18)17-13(3)9-12(2)10-14(17)4/h6,8-10H,11H2,1-4H3
InChIKey QNYNQJWMHGSZES-UHFFFAOYSA-N
Molecular Weight 354.482 g/mol
SMILES C1(=C2C(=C(CS1)C(=O)OC#CC)C=CS2)c1c(cc(cc1C)C)C
SPLASH splash10-0fk9-0009000000-3c7dfcab526343eea3fb
Source of Spectrum SO-0-731-8
Wiley ID 1545064