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2-[4-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID dTJyZITlFq
InChI InChI=1S/C14H12N4O5S/c19-9-4-8(12-5-20-13(9)23-12)18-14(24)17(15-16-18)7-1-2-10-11(3-7)22-6-21-10/h1-3,8,12-13H,4-6H2/t8?,12-,13-/m0/s1
InChIKey VBMJVSMLFROIGT-NATIJBFWSA-N
Mol Weight 348.33 g/mol
Molecular Formula C14H12N4O5S
Exact Mass 348.052841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DtHZKMPx7T
Name 2-[4-(1,3-benzodioxol-5-yl)-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 C14H12N4O5S
InChI InChI=1S/C14H12N4O5S/c19-9-4-8(12-5-20-13(9)23-12)18-14(24)17(15-16-18)7-1-2-10-11(3-7)22-6-21-10/h1-3,8,12-13H,4-6H2/t8?,12-,13-/m0/s1
InChIKey VBMJVSMLFROIGT-NATIJBFWSA-N
Molecular Weight 348.333 g/mol
SMILES c1c2OCOc2cc(N2C(N(N=N2)C2[C@]3(O[C@@](C(C2)=O)(OC3)[H])[H])=S)c1
SPLASH splash10-0gy6-9501000000-d47cf1f8025a7cd37994
Synonyms 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidenetetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(1,3-benzodioxol-5-yl)-5-thioxo-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1511880