2-(4-mesityl-5-thioxo-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one

SpectraBase Compound ID	3Rm4uoQ8LGY
InChI	InChI=1S/C16H18N4O3S/c1-8-4-9(2)14(10(3)5-8)20-16(24)19(17-18-20)11-6-12(21)15-22-7-13(11)23-15/h4-5,11,13,15H,6-7H2,1-3H3/t11-,13+,15+/m0/s1
InChIKey	ZILGJTVKUBMBFG-NJZAAPMLSA-N Google Search
Mol Weight	346.41 g/mol
Molecular Formula	C16H18N4O3S
Exact Mass	346.109962 g/mol

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SpectraBase Spectrum ID	3VZXCYoN7Y
Name	2-(4-mesityl-5-thioxo-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H18N4O3S
InChI	InChI=1S/C16H18N4O3S/c1-8-4-9(2)14(10(3)5-8)20-16(24)19(17-18-20)11-6-12(21)15-22-7-13(11)23-15/h4-5,11,13,15H,6-7H2,1-3H3/t11-,13+,15+/m0/s1
InChIKey	ZILGJTVKUBMBFG-NJZAAPMLSA-N
Molecular Weight	346.405 g/mol
SMILES	Cc1cc(c(N2C(N([C@@]3([C@@]4(O[C@](C(C3)=O)(OC4)[H])[H])[H])N=N2)=S)c(c1)C)C
SPLASH	splash10-0006-9610000000-d916137935f8fb4a90ba
Synonyms	2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[5-thioxo-4-(2,4,6-trimethylphenyl)tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID	1453533