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3-Cyano-4-methylthio-6-(3'-bromophenyl)-2H-pyran-2-one
SpectraBase Compound ID HE7e2MNltbn
InChI InChI=1S/C13H8BrNO2S/c1-18-12-6-11(17-13(16)10(12)7-15)8-3-2-4-9(14)5-8/h2-6H,1H3
InChIKey RKAKOUFKSYCZPI-UHFFFAOYSA-N
Mol Weight 322.18 g/mol
Molecular Formula C13H8BrNO2S
Exact Mass 320.945913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lt46xNgGn6
Name 3-Cyano-4-methylthio-6-(3'-bromophenyl)-2H-pyran-2-one
Alternate Name(s) 3-Cyano-4-thiomethyl-6-(3'-bromophenyl)-2H-pyran-2-one 6-(3-bromophenyl)-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8BrNO2S
InChI InChI=1S/C13H8BrNO2S/c1-18-12-6-11(17-13(16)10(12)7-15)8-3-2-4-9(14)5-8/h2-6H,1H3
InChIKey RKAKOUFKSYCZPI-UHFFFAOYSA-N
Molecular Weight 322.176 g/mol
SMILES C=1(C(OC(=CC1SC)c1cc(Br)ccc1)=O)C#N
SPLASH splash10-01b9-7659000000-5dafa5f328149f1ed49d
Source of Spectrum Y1-36-874-5
Wiley ID 1527148