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Creatinine,3-acetyl-
SpectraBase Compound ID JrvROx1qAE7
InChI InChI=1S/C6H9N3O2/c1-4(10)9-5(11)3-8(2)6(9)7/h7H,3H2,1-2H3/b7-6-
InChIKey QMQDYPSDRZORPH-SREVYHEPSA-N
Mol Weight 155.16 g/mol
Molecular Formula C6H9N3O2
Exact Mass 155.069477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WnRlCo88kS
Name Creatinine,3-acetyl-
CAS Registry Number 112538-45-1
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 155.069476540 u
Formula C6H9N3O2
InChI InChI=1S/C6H9N3O2/c1-4(10)9-5(11)3-8(2)6(9)7/h7H,3H2,1-2H3/b7-6-
InChIKey QMQDYPSDRZORPH-SREVYHEPSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 155.157 g/mol
Nominal Mass 155 u
Quality 991
Retention Index 1375
SMILES C1(N(C(CN1C)=O)C(=O)C)=N
SPLASH splash10-0006-8900000000-d2674882a10bcc7f7154
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-acetyl-2-imino-1-methylimidazolidin-4-one
Technique GC/MS
Wiley ID DD2024_033441