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2-(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one

View entire compound with spectra: 1 MS (GC)

2-(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID BSkeTZeA1Oz
InChI InChI=1S/C19H16N4O3S/c24-15-10-14(16-11-25-18(15)26-16)23-19(27)22(13-4-2-1-3-5-13)17(21-23)12-6-8-20-9-7-12/h1-9,14,16,18H,10-11H2
InChIKey TUNWGBYRKYKSIH-UHFFFAOYSA-N
Mol Weight 380.42 g/mol
Molecular Formula C19H16N4O3S
Exact Mass 380.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0u7hIDxZms
Name 2-(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Alternate Name(s) 2-[4-phenyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4O3S
InChI InChI=1S/C19H16N4O3S/c24-15-10-14(16-11-25-18(15)26-16)23-19(27)22(13-4-2-1-3-5-13)17(21-23)12-6-8-20-9-7-12/h1-9,14,16,18H,10-11H2
InChIKey TUNWGBYRKYKSIH-UHFFFAOYSA-N
Molecular Weight 380.422 g/mol
SMILES c1ccc(N2C(N(N=C2c2ccncc2)C2C3OC(C(C2)=O)OC3)=S)cc1
SPLASH splash10-0pdr-9565000000-64e37b67242567ced2aa
Wiley ID 1442239