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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID ArBr4JfyTEW
Name Creatinine
Source of Sample Aldrich
Catalog Number 859702
CAS Registry Number 60-27-5
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 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
Purity 98%
Synonyms 2-Amino-1-methyl-2-imidazolin-4-one 2-Imino-1-methylimidazolidin-4-one 2-Imino-N-methylhydantoin
Wiley ID SIAL_ATR-IR_022121