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7-[(5-Mercapto-1,3,4-oxadiazol-2-yl)methoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one
SpectraBase Compound ID Cf0hMRnOjTy
InChI InChI=1S/C19H14N2O4S/c1-11-15(23-10-16-20-21-19(26)24-16)8-7-13-14(9-17(22)25-18(11)13)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,26)
InChIKey PWYFUUQNXYDEPJ-UHFFFAOYSA-N
Mol Weight 366.39 g/mol
Molecular Formula C19H14N2O4S
Exact Mass 366.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YsjSe0xPCu
Name 7-[(5-Mercapto-1,3,4-oxadiazol-2-yl)methoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one
Alternate Name(s) 8-methyl-4-phenyl-7-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]-1-benzopyran-2-one 8-methyl-4-phenyl-7-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methoxy]chromen-2-one 8-methyl-4-phenyl-7-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]chromen-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14N2O4S
InChI InChI=1S/C19H14N2O4S/c1-11-15(23-10-16-20-21-19(26)24-16)8-7-13-14(9-17(22)25-18(11)13)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,26)
InChIKey PWYFUUQNXYDEPJ-UHFFFAOYSA-N
Molecular Weight 366.391 g/mol
SMILES Sc1oc(nn1)COc1c(c2c(C(c3ccccc3)=CC(O2)=O)cc1)C
SPLASH splash10-014i-0009000000-743711c02b5335686a0f
Source of Spectrum F2-45-3955-3a
Wiley ID 1689400