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Creatinine

View entire compound with spectra: 2 NMR

Creatinine
SpectraBase Compound ID KkNk2x6nn53
InChI InChI=1S/C4H7N3O.C2H4O2/c1-7-2-3(8)6-4(7)5;1-2(3)4/h2H2,1H3,(H2,5,6,8);1H3,(H,3,4)
InChIKey KUEQYMSOUGLPQT-UHFFFAOYSA-N
Mol Weight 173.17 g/mol
Molecular Formula C6H11N3O3
Exact Mass 173.080041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Cnto0eBLho
Name CREATININE
Compound Number 4*ACOH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H11N3O3
InChI InChI=1S/C4H7N3O.C2H4O2/c1-7-2-3(8)6-4(7)5;1-2(3)4/h2H2,1H3,(H2,5,6,8);1H3,(H,3,4)
InChIKey KUEQYMSOUGLPQT-UHFFFAOYSA-N
Literature Reference Author A.OLOFSON,K.YAKUSHIJIN,D.A.HORNE
Literature Reference Citation J.ORG.CHEM.,63,5787(1998)
Literature Reference DOI 10.1021/jo972295d
Molecular Weight 173.172 g/mol
Sample ID 28612
Solvent D2O