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2-[4-(3-hydroxyphenyl)-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-(3-hydroxyphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID LgRWZp3CfOY
InChI InChI=1S/C13H12N4O4S/c18-8-3-1-2-7(4-8)16-13(22)17(15-14-16)9-5-10(19)12-20-6-11(9)21-12/h1-4,9,11-12,18H,5-6H2/t9?,11-,12-/m0/s1
InChIKey QDNHPNDNFFYSOS-WEBCLNCGSA-N
Mol Weight 320.32 g/mol
Molecular Formula C13H12N4O4S
Exact Mass 320.057926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Eson4B8fCA
Name 2-[4-(3-hydroxyphenyl)-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 C13H12N4O4S
InChI InChI=1S/C13H12N4O4S/c18-8-3-1-2-7(4-8)16-13(22)17(15-14-16)9-5-10(19)12-20-6-11(9)21-12/h1-4,9,11-12,18H,5-6H2/t9?,11-,12-/m0/s1
InChIKey QDNHPNDNFFYSOS-WEBCLNCGSA-N
Molecular Weight 320.323 g/mol
SMILES Oc1cc(N2C(N(N=N2)C2[C@]3(O[C@@](C(C2)=O)(OC3)[H])[H])=S)ccc1
SPLASH splash10-0frf-9200000000-34decff2bc37d7f69679
Synonyms 2-[4-(3-hydroxyphenyl)-5-sulfanylidene-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(3-hydroxyphenyl)-5-sulfanylidenetetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(3-hydroxyphenyl)-5-thioxo-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1511987