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Creatinine

View entire compound with spectra: 10 NMR, 3 FTIR, and 14 MS (GC)

Creatinine
SpectraBase Compound ID 8LXprxLhOYK
InChI InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
InChIKey DDRJAANPRJIHGJ-UHFFFAOYSA-N
Mol Weight 113.12 g/mol
Molecular Formula C4H7N3O
Exact Mass 113.058912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yyCW2o3s88
Name CREATININE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 60-27-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H7N3O
InChI InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
InChIKey DDRJAANPRJIHGJ-UHFFFAOYSA-N
Melting Point 300C (dec.)
Molecular Weight 113.12
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 4-IMIDAZOLIDINONE, 2-IMINO-1-METHYL-,