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2H-Pyran-2-one, 4-hydroxy-6-methyl-3-[(4-nitrophenyl)(phenylthio)methyl]-
SpectraBase Compound ID JjfmtuNSi5j
InChI InChI=1S/C19H15NO5S/c1-12-11-16(21)17(19(22)25-12)18(26-15-5-3-2-4-6-15)13-7-9-14(10-8-13)20(23)24/h2-11,18,21H,1H3
InChIKey WXEMLPSKKIFFDC-UHFFFAOYSA-N
Mol Weight 369.39 g/mol
Molecular Formula C19H15NO5S
Exact Mass 369.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HCqAiA1kKd
Name 2H-Pyran-2-one, 4-hydroxy-6-methyl-3-[(4-nitrophenyl)(phenylthio)methyl]-
CAS Registry Number 82420-06-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15NO5S
InChI InChI=1S/C19H15NO5S/c1-12-11-16(21)17(19(22)25-12)18(26-15-5-3-2-4-6-15)13-7-9-14(10-8-13)20(23)24/h2-11,18,21H,1H3
InChIKey WXEMLPSKKIFFDC-UHFFFAOYSA-N
Molecular Weight 369.391 g/mol
SMILES OC1=C(C(OC(=C1)C)=O)C(Sc1ccccc1)c1ccc(N(=O)=O)cc1
SPLASH splash10-01ox-9600000000-c46fd6f56784f1e905e4
Source of Spectrum Y-19-336-0
Synonyms (4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)(4-nitrophenyl)phenylthiomethane 4-Hydroxy-6-methyl-3-[(4-nitrophenyl)(phenylsulfanyl)methyl]-2H-pyran-2-one 4-Hydroxy-6-methyl-3-[(4-nitrophenyl)-(phenylthio)methyl]-2-pyranone 4-Hydroxy-6-methyl-3-[(4-nitrophenyl)-phenylsulfanylmethyl]pyran-2-one 4-Hydroxy-6-methyl-3-[(4-nitrophenyl)-phenylsulfanyl-methyl]pyran-2-one 6-Methyl-3-[(4-nitrophenyl)-phenylsulfanyl-methyl]-4-oxidanyl-pyran-2-one
Wiley ID 1353589