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7-(4-Ethyl-5-thioxo-1,2,4-triazol-3-yl)methoxy-3,4- dimethyl-2H-1-benzopyran-2-one

View entire compound with spectra: 1 MS (GC)

7-(4-Ethyl-5-thioxo-1,2,4-triazol-3-yl)methoxy-3,4- dimethyl-2H-1-benzopyran-2-one
SpectraBase Compound ID JxrAnWEJ97o
InChI InChI=1S/C16H17N3O3S/c1-4-19-14(17-18-16(19)23)8-21-11-5-6-12-9(2)10(3)15(20)22-13(12)7-11/h5-7H,4,8H2,1-3H3,(H,18,23)
InChIKey OROUQQCDIMHDPO-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C16H17N3O3S
Exact Mass 331.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QRxV6VRyZR
Name 7-(4-Ethyl-5-thioxo-1,2,4-triazol-3-yl)methoxy-3,4- dimethyl-2H-1-benzopyran-2-one
Alternate Name(s) 7-((4-ethyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy)-3,4-dimethyl-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O3S
InChI InChI=1S/C16H17N3O3S/c1-4-19-14(17-18-16(19)23)8-21-11-5-6-12-9(2)10(3)15(20)22-13(12)7-11/h5-7H,4,8H2,1-3H3,(H,18,23)
InChIKey OROUQQCDIMHDPO-UHFFFAOYSA-N
Molecular Weight 331.390 g/mol
SMILES N1C(N(C(=N1)COc1cc2c(C(=C(C(O2)=O)C)C)cc1)CC)=S
SPLASH splash10-01za-6296000000-a82b78a6d6ae8942a5b6
Source of Spectrum Sohair L. El-Ansary, et al. Bioorganic Chemistry, V. 53, 2014, p. 50-66
Wiley ID 1817612