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2-[4-(2-fluorophenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one

View entire compound with spectra: 1 MS (GC)

2-[4-(2-fluorophenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 2Tzjd7lb6Nf
InChI InChI=1S/C13H11FN4O3S/c14-7-3-1-2-4-8(7)17-13(22)18(16-15-17)9-5-10(19)12-20-6-11(9)21-12/h1-4,9,11-12H,5-6H2/t9?,11-,12-/m0/s1
InChIKey JVUWSQQOVASZDK-WEBCLNCGSA-N
Mol Weight 322.31 g/mol
Molecular Formula C13H11FN4O3S
Exact Mass 322.05359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EemNqpoTqdd
Name 2-[4-(2-fluorophenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11FN4O3S
InChI InChI=1S/C13H11FN4O3S/c14-7-3-1-2-4-8(7)17-13(22)18(16-15-17)9-5-10(19)12-20-6-11(9)21-12/h1-4,9,11-12H,5-6H2/t9?,11-,12-/m0/s1
InChIKey JVUWSQQOVASZDK-WEBCLNCGSA-N
Molecular Weight 322.314 g/mol
SMILES c1ccc(N2C(N(N=N2)C2[C@]3(O[C@@](C(C2)=O)(OC3)[H])[H])=S)c(F)c1
SPLASH splash10-002o-9310000000-7459a3f0f0db5c5ba4ec
Synonyms 2-[4-(2-fluorophenyl)-5-sulfanylidene-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(2-fluorophenyl)-5-sulfanylidenetetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(2-fluorophenyl)-5-thioxo-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1511910