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

SpectraBase Compound ID	1x5VQUhWQnn
InChI	InChI=1S/C15H15ClN4O5S/c1-22-11-5-9(12(23-2)3-7(11)16)20-15(26)19(17-18-20)8-4-10(21)14-24-6-13(8)25-14/h3,5,8,13-14H,4,6H2,1-2H3/t8?,13-,14-/m0/s1
InChIKey	WTGHQZIAAWZQDI-QEFGXKJSSA-N Google Search
Mol Weight	398.82 g/mol
Molecular Formula	C15H15ClN4O5S
Exact Mass	398.045168 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	LSWAt9tLcjF
Name	2-[4-(4-chloranyl-2,5-dimethoxy-phenyl)-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	C15H15ClN4O5S
InChI	InChI=1S/C15H15ClN4O5S/c1-22-11-5-9(12(23-2)3-7(11)16)20-15(26)19(17-18-20)8-4-10(21)14-24-6-13(8)25-14/h3,5,8,13-14H,4,6H2,1-2H3/t8?,13-,14-/m0/s1
InChIKey	WTGHQZIAAWZQDI-QEFGXKJSSA-N
Molecular Weight	398.821 g/mol
SMILES	COc1cc(N2C(N(C3[C@]4(O[C@@](C(C3)=O)(OC4)[H])[H])N=N2)=S)c(cc1Cl)OC
SPLASH	splash10-0f76-9430000000-b8a19c5e221a71c249f3
Synonyms	2-[4-(4-chloro-2,5-dimethoxy-phenyl)-5-thioxo-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(4-chloro-2,5-dimethoxyphenyl)-5-sulfanylidene-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(4-chloro-2,5-dimethoxyphenyl)-5-sulfanylidenetetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID	1442574