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PENIPACID-A;(E)-2-[N'-(2-HYDROXY-2-METHYLPROPYL)-ACETIMIDAMIDO]-BENZOIC-ACID
SpectraBase Compound ID 1Dv9rnl9ZTW
InChI InChI=1S/C13H18N2O3/c1-9(14-8-13(2,3)18)15-11-7-5-4-6-10(11)12(16)17/h4-7,18H,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKey CKZIANKHOZUABY-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C13H18N2O3
Exact Mass 250.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4OegTeebQHD
Name PENIPACID-A;(E)-2-[N'-(2-HYDROXY-2-METHYLPROPYL)-ACETIMIDAMIDO]-BENZOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18N2O3
InChI InChI=1S/C13H18N2O3/c1-9(14-8-13(2,3)18)15-11-7-5-4-6-10(11)12(16)17/h4-7,18H,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKey CKZIANKHOZUABY-UHFFFAOYSA-N
Literature Reference Author C.S.LI,X.M.LI,S.S.GAO,Y.H.LU,B.G.WANG
Literature Reference Citation MAR.DRUGS,11,3068(2013)
Literature Reference DOI 10.3390/md11083068
Molecular Weight 250.298 g/mol
Source File Reference UWLU74917