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Methyl 4-hydroxy-2,5,7-trimethyl-6-oxocyclohepa[d][1,3]thiazole-8-carboxylate
SpectraBase Compound ID FUX67aFaJ9i
InChI InChI=1S/C13H13NO4S/c1-5-8(13(17)18-4)12-9(14-7(3)19-12)11(16)6(2)10(5)15/h16H,1-4H3
InChIKey XKFQMCLMMWTHOX-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lrRkpapIiO
Name Methyl 4-hydroxy-2,5,7-trimethyl-6-oxocyclohepa[d][1,3]thiazole-8-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-5-8(13(17)18-4)12-9(14-7(3)19-12)11(16)6(2)10(5)15/h16H,1-4H3
InChIKey XKFQMCLMMWTHOX-UHFFFAOYSA-N
Molecular Weight 279.310 g/mol
SMILES OC=1c2c(C(=C(C)C(C1C)=O)C(=O)OC)sc(n2)C
SPLASH splash10-01ri-0090000000-a897e7d5348b606a8441
Source of Spectrum H1-51-1228-4
Synonyms Methyl 4-hydroxy-2,5,7-trimethyl-6-oxo-6H-cyclohepta[d][1,3]thiazole-8-carboxylate
Wiley ID 817123