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Allantoin
SpectraBase Compound ID 9ZGpbFCBYpv
InChI InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKey POJWUDADGALRAB-UHFFFAOYSA-N
Mol Weight 158.12 g/mol
Molecular Formula C4H6N4O3
Exact Mass 158.04399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53S0EbHB1OW
Name Allantoin
CAS Registry Number 97-59-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H6N4O3
InChI InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKey POJWUDADGALRAB-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference B. Coxon, A.J. Fatiadi, L.T. Sniegoski, J. Org. Chem. 42, 3132 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6