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5-[4-(4-keto-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-thioxo-tetrazol-1-yl]phthalide
SpectraBase Compound ID Im0FEz6mMhv
InChI InChI=1S/C15H12N4O5S/c20-11-4-10(12-6-23-14(11)24-12)19-15(25)18(16-17-19)8-1-2-9-7(3-8)5-22-13(9)21/h1-3,10,12,14H,4-6H2/t10?,12-,14-/m0/s1
InChIKey NMHXDOROZZALPA-NVAMKISNSA-N
Mol Weight 360.34 g/mol
Molecular Formula C15H12N4O5S
Exact Mass 360.052841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvfgXi5HQYj
Name 5-[4-(4-keto-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-thioxo-tetrazol-1-yl]phthalide
Alternate Name(s) 5-[4-(4-oxidanylidene-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-3H-2-benzofuran-1-one 5-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-1-tetrazolyl]-3H-isobenzofuran-1-one 5-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidenetetrazol-1-yl]-3H-2-benzofuran-1-one 5-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-thioxo-tetrazol-1-yl]-3H-isobenzofuran-1-one
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Formula C15H12N4O5S
InChI InChI=1S/C15H12N4O5S/c20-11-4-10(12-6-23-14(11)24-12)19-15(25)18(16-17-19)8-1-2-9-7(3-8)5-22-13(9)21/h1-3,10,12,14H,4-6H2/t10?,12-,14-/m0/s1
InChIKey NMHXDOROZZALPA-NVAMKISNSA-N
Molecular Weight 360.344 g/mol
SMILES C1(OCc2cc(N3C(=S)N(C4[C@@]5(CO[C@](C(=O)C4)(O5)[H])[H])N=N3)ccc12)=O
SPLASH splash10-00ko-9411000000-f6132170c00fa2058cc8
Wiley ID 1511147