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6-Methyl-5-methylthio-2-(4-nitrophenyl)-2,3-dihydro-4-pyrone
SpectraBase Compound ID 4rDNhCGwhgK
InChI InChI=1S/C13H13NO4S/c1-8-13(19-2)11(15)7-12(18-8)9-3-5-10(6-4-9)14(16)17/h3-6,12H,7H2,1-2H3
InChIKey XMNRAYULZQFWHL-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 4ZYyYIOJQwK
Name 6-Methyl-5-methylthio-2-(4-nitrophenyl)-2,3-dihydro-4-pyrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-8-13(19-2)11(15)7-12(18-8)9-3-5-10(6-4-9)14(16)17/h3-6,12H,7H2,1-2H3
InChIKey XMNRAYULZQFWHL-UHFFFAOYSA-N
Molecular Weight 279.310 g/mol
SMILES C1(CC(C(=C(O1)C)SC)=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-0006-9110000000-389527b933189fd4f10c
Source of Spectrum E1-38-332-4
Synonyms 6-Methyl-5-(methylsulfanyl)-2-(4-nitrophenyl)-2,3-dihydro-4H-pyran-4-one 6-Methyl-5-methylsulfanyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one
Wiley ID 1518163