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3-[[(1,1-DIMETHYLETHYL)-AMINO]-CARBONYL]-2-PYRIDINE-CARBOXYLIC-ACID-METHYLESTER-MONOHYDRATE
SpectraBase Compound ID Hrmlb7V4HCI
InChI InChI=1S/C12H16N2O3.H2O/c1-12(2,3)14-10(15)8-6-5-7-13-9(8)11(16)17-4;/h5-7H,1-4H3,(H,14,15);1H2
InChIKey KUILAIWCTKJITB-UHFFFAOYSA-N
Mol Weight 254.29 g/mol
Molecular Formula C12H18N2O4
Exact Mass 254.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95r46d7ONwl
Name 3-[[(1,1-DIMETHYLETHYL)-AMINO]-CARBONYL]-2-PYRIDINE-CARBOXYLIC-ACID-METHYLESTER-MONOHYDRATE
Compound Number 8I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18N2O4
InChI InChI=1S/C12H16N2O3.H2O/c1-12(2,3)14-10(15)8-6-5-7-13-9(8)11(16)17-4;/h5-7H,1-4H3,(H,14,15);1H2
InChIKey KUILAIWCTKJITB-UHFFFAOYSA-N
Literature Reference Author T.V.ES,B.STASKUN,P.KARUSO
Literature Reference Citation S.AFR.J.CHEM.,65,53(2012)
Molecular Weight 254.286 g/mol
Source File Reference UWIR4333