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7-[(5-Methylthio-1,3,4-oxadiazol-2-yl)methoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one
SpectraBase Compound ID GQfMHOS2o1G
InChI InChI=1S/C20H16N2O4S/c1-12-16(24-11-17-21-22-20(25-17)27-2)9-8-14-15(10-18(23)26-19(12)14)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey LPQIUEJXUWOSTG-UHFFFAOYSA-N
Mol Weight 380.42 g/mol
Molecular Formula C20H16N2O4S
Exact Mass 380.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5G5uf0ACemC
Name 7-[(5-Methylthio-1,3,4-oxadiazol-2-yl)methoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one
Alternate Name(s) 8-methyl-7-[[5-(methylthio)-1,3,4-oxadiazol-2-yl]methoxy]-4-phenyl-1-benzopyran-2-one 8-methyl-7-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]-4-phenylchromen-2-one 8-methyl-7-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]-4-phenyl-chromen-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O4S
InChI InChI=1S/C20H16N2O4S/c1-12-16(24-11-17-21-22-20(25-17)27-2)9-8-14-15(10-18(23)26-19(12)14)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey LPQIUEJXUWOSTG-UHFFFAOYSA-N
Molecular Weight 380.418 g/mol
SMILES c12c(C(c3ccccc3)=CC(O1)=O)ccc(c2C)OCc1oc(SC)nn1
SPLASH splash10-001i-0009000000-5ab6ca867b059660c01b
Source of Spectrum F2-45-3955-4a
Wiley ID 1689398