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2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID FkT9Q4iLeFp
InChI InChI=1S/C14H14N4O3S/c1-22-9-4-2-8(3-5-9)13-15-16-17-18(13)10-6-11(19)14-20-7-12(10)21-14/h2-5,10,12,14H,6-7H2,1H3
InChIKey RUFAIAXJOQYVIR-UHFFFAOYSA-N
Mol Weight 318.35 g/mol
Molecular Formula C14H14N4O3S
Exact Mass 318.078661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaGeiA3sxda
Name 2-[5-(4-methylsulfanylphenyl)-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 C14H14N4O3S
InChI InChI=1S/C14H14N4O3S/c1-22-9-4-2-8(3-5-9)13-15-16-17-18(13)10-6-11(19)14-20-7-12(10)21-14/h2-5,10,12,14H,6-7H2,1H3
InChIKey RUFAIAXJOQYVIR-UHFFFAOYSA-N
Molecular Weight 318.351 g/mol
SMILES C12C(CC(C(O2)OC1)=O)[n]1c(nnn1)-c1ccc(cc1)SC
SPLASH splash10-000g-9200000000-62459fbf72689502afd9
Synonyms 2-[5-[4-(methylthio)phenyl]-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[5-[4-(methylthio)phenyl]tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1511169