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4-[1-HYDROXY-2-(1H-TETRAZOL-5-YL)-PROPYL]-BENZOIC-ACID;MAJOR-ISOMER

View entire compound with spectra: 2 NMR

4-[1-HYDROXY-2-(1H-TETRAZOL-5-YL)-PROPYL]-BENZOIC-ACID;MAJOR-ISOMER
SpectraBase Compound ID I3NNBIlrcGk
InChI InChI=1S/C11H12N4O3/c1-6(10-12-14-15-13-10)9(16)7-2-4-8(5-3-7)11(17)18/h2-6,9,16H,1H3,(H,17,18)(H,12,13,14,15)
InChIKey GDPXBGUBPNTUMX-UHFFFAOYSA-N
Mol Weight 248.24 g/mol
Molecular Formula C11H12N4O3
Exact Mass 248.09094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWO12imHdKL
Name 4-[1-HYDROXY-2-(1H-TETRAZOL-5-YL)-PROPYL]-BENZOIC-ACID;MINOR-ISOMER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N4O3
InChI InChI=1S/C11H12N4O3/c1-6(10-12-14-15-13-10)9(16)7-2-4-8(5-3-7)11(17)18/h2-6,9,16H,1H3,(H,17,18)(H,12,13,14,15)
InChIKey GDPXBGUBPNTUMX-UHFFFAOYSA-N
Literature Reference Author N.PROSA,R.TURGIS,R.PICCARDI,M.C.SCHERRMANN
Literature Reference Citation EUR.J.ORG.CHEM.,2012,2188(2012)
Literature Reference DOI 10.1002/ejoc.201101726
Molecular Weight 248.241 g/mol
Solvent CDCl3
Source File Reference UWLU84803