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t-Butyl 7-(2,4,6-trimethylphenyl)-5H-thieno[2,3-c]thiopyran-4-carboxylate
SpectraBase Compound ID J5qn1sSwecw
InChI InChI=1S/C21H24O2S2/c1-12-9-13(2)17(14(3)10-12)19-18-15(7-8-24-18)16(11-25-19)20(22)23-21(4,5)6/h7-10H,11H2,1-6H3
InChIKey BKELUXIUCBGBLF-UHFFFAOYSA-N
Mol Weight 372.54 g/mol
Molecular Formula C21H24O2S2
Exact Mass 372.121772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96DMpFDVflQ
Name t-Butyl 7-(2,4,6-trimethylphenyl)-5H-thieno[2,3-c]thiopyran-4-carboxylate
Alternate Name(s) tert-butyl 7-mesityl-5H-thieno[2,3-c]thiopyran-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H24O2S2
InChI InChI=1S/C21H24O2S2/c1-12-9-13(2)17(14(3)10-12)19-18-15(7-8-24-18)16(11-25-19)20(22)23-21(4,5)6/h7-10H,11H2,1-6H3
InChIKey BKELUXIUCBGBLF-UHFFFAOYSA-N
Molecular Weight 372.541 g/mol
SMILES C1(=C2C(=C(CS1)C(=O)OC(C)(C)C)C=CS2)c1c(cc(cc1C)C)C
SPLASH splash10-01b9-0009000000-d51049002e67cfaef2b5
Source of Spectrum SO-0-731-8
Wiley ID 1545062