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Bicyclo[3.2.1]octan-4-one, 2-(5-phenyltetrazol-1-yl)-6,8-dioxa-
SpectraBase Compound ID 9MMuFrd1yDy
InChI InChI=1S/C13H12N4O3/c18-10-6-9(11-7-19-13(10)20-11)17-12(14-15-16-17)8-4-2-1-3-5-8/h1-5,9,11,13H,6-7H2/t9-,11+,13+/m1/s1
InChIKey XPJNMOQWPWRBOP-CDMKHQONSA-N
Mol Weight 272.26 g/mol
Molecular Formula C13H12N4O3
Exact Mass 272.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbQtpfJ9NJE
Name Bicyclo[3.2.1]octan-4-one, 2-(5-phenyltetrazol-1-yl)-6,8-dioxa-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4O3
InChI InChI=1S/C13H12N4O3/c18-10-6-9(11-7-19-13(10)20-11)17-12(14-15-16-17)8-4-2-1-3-5-8/h1-5,9,11,13H,6-7H2/t9-,11+,13+/m1/s1
InChIKey XPJNMOQWPWRBOP-CDMKHQONSA-N
Molecular Weight 272.264 g/mol
SMILES [C@]12([C@@](CC([C@](O2)(OC1)[H])=O)([n]1c(nnn1)-c1ccccc1)[H])[H]
SPLASH splash10-0f6x-9720000000-ad2cbb166a19258ead68
Synonyms 2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one 2-(5-phenyl-1-tetrazolyl)-6,8-dioxabicyclo[3.2.1]octan-4-one 2-(5-phenyltetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1439322