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2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one

View entire compound with spectra: 1 MS (GC)

2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 4K0wqjLvryU
InChI InChI=1S/C12H14N6O4S/c1-2-17-10(8-9(13)16-22-15-8)14-18(12(17)23)5-3-6(19)11-20-4-7(5)21-11/h5,7,11H,2-4H2,1H3,(H2,13,16)
InChIKey MCBKLJQAAHORMW-UHFFFAOYSA-N
Mol Weight 338.34 g/mol
Molecular Formula C12H14N6O4S
Exact Mass 338.079724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGOhkayfHuR
Name 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
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Formula C12H14N6O4S
InChI InChI=1S/C12H14N6O4S/c1-2-17-10(8-9(13)16-22-15-8)14-18(12(17)23)5-3-6(19)11-20-4-7(5)21-11/h5,7,11H,2-4H2,1H3,(H2,13,16)
InChIKey MCBKLJQAAHORMW-UHFFFAOYSA-N
Molecular Weight 338.342 g/mol
SMILES Nc1c(non1)C=1N(C(N(C2C3OC(C(=O)C2)OC3)N1)=S)CC
SPLASH splash10-0006-9220000000-3c788886d4a85d10a4d5
Source of Spectrum IY-2-5024-1
Synonyms 6,8-Dioxabicyclo[3.2.1]octan-4-one, 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-1-yl]- 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[3-(4-azanyl-1,2,5-oxadiazol-3-yl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1658224