Debug Info

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J7hBX5tXJNA
spectrumID
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J7hBX5tXJNA
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Mass Spectrum (GC)
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Dimethyl 5,6,7,8-tetrahydro-7,7-dimethyl-4,5-dioxobenzo[b]thiopyran-2,3-dicarboxylate
SpectraBase Compound ID BfWTq1nqEXP
InChI InChI=1S/C15H16O6S/c1-15(2)5-7(16)9-8(6-15)22-12(14(19)21-4)10(11(9)17)13(18)20-3/h5-6H2,1-4H3
InChIKey VEEXAGOFPQXMEZ-UHFFFAOYSA-N
Mol Weight 324.35 g/mol
Molecular Formula C15H16O6S
Exact Mass 324.066759 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7hBX5tXJNA
Name Dimethyl 5,6,7,8-tetrahydro-7,7-dimethyl-4,5-dioxobenzo[b]thiopyran-2,3-dicarboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O6S
InChI InChI=1S/C15H16O6S/c1-15(2)5-7(16)9-8(6-15)22-12(14(19)21-4)10(11(9)17)13(18)20-3/h5-6H2,1-4H3
InChIKey VEEXAGOFPQXMEZ-UHFFFAOYSA-N
Molecular Weight 324.347 g/mol
SMILES C1(=C(SC2=C(C1=O)C(CC(C2)(C)C)=O)C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-9031000000-10161d29615d72c1dcf8
Source of Spectrum J-56-1907-10
Synonyms Dimethyl 7,7-dimethyl-4,5-dioxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-2,3-dicarboxylate
Wiley ID 1322917
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