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

SpectraBase Compound ID	QfJeho0arg
InChI	InChI=1S/C14H14N4O4S/c1-20-11-5-3-2-4-8(11)17-14(23)18(16-15-17)9-6-10(19)13-21-7-12(9)22-13/h2-5,9,12-13H,6-7H2,1H3/t9?,12-,13-/m0/s1
InChIKey	KYIIDSFFMUGDAW-AXRFISIWSA-N Google Search
Mol Weight	334.35 g/mol
Molecular Formula	C14H14N4O4S
Exact Mass	334.073576 g/mol

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SpectraBase Spectrum ID	B3rhEhL1XIu
Name	2-[4-(2-methoxyphenyl)-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	C14H14N4O4S
InChI	InChI=1S/C14H14N4O4S/c1-20-11-5-3-2-4-8(11)17-14(23)18(16-15-17)9-6-10(19)13-21-7-12(9)22-13/h2-5,9,12-13H,6-7H2,1H3/t9?,12-,13-/m0/s1
InChIKey	KYIIDSFFMUGDAW-AXRFISIWSA-N
Molecular Weight	334.350 g/mol
SMILES	c1ccc(N2C(N(N=N2)C2[C@]3(O[C@@](C(C2)=O)(OC3)[H])[H])=S)c(OC)c1
SPLASH	splash10-0019-9840000000-d2dcd9a338c80de5b452
Synonyms	2-[4-(2-methoxyphenyl)-5-sulfanylidene-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(2-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(2-methoxyphenyl)-5-thioxo-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID	1511839