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2-((-Cyano-imino)-3-(2-methoxycarbonyl-ethyl)-hexahydro-pyrimidin-4-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-((-Cyano-imino)-3-(2-methoxycarbonyl-ethyl)-hexahydro-pyrimidin-4-one
SpectraBase Compound ID DE5WbUGQTtM
InChI InChI=1S/C9H12N4O3/c1-16-8(15)3-5-13-7(14)2-4-11-9(13)12-6-10/h2-5H2,1H3,(H,11,12)
InChIKey BOMMPXQAOCRBFB-UHFFFAOYSA-N
Mol Weight 224.22 g/mol
Molecular Formula C9H12N4O3
Exact Mass 224.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdpWKFR4kNr
Name 3-[2-(cyanoamino)-6-keto-4,5-dihydropyrimidin-1-yl]propionic acid methyl ester
CAS Registry Number 132286-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O3
InChI InChI=1S/C9H12N4O3/c1-16-8(15)3-5-13-7(14)2-4-11-9(13)12-6-10/h2-5H2,1H3,(H,11,12)
InChIKey BOMMPXQAOCRBFB-UHFFFAOYSA-N
Molecular Weight 224.220 g/mol
SMILES N(C=1N(C(CCN1)=O)CCC(=O)OC)C#N
SPLASH splash10-0aor-9200000000-d61c29d9260064322f30
Source of Spectrum F-46-7811-12
Synonyms 3-[2-(cyanoamino)-6-oxo-4,5-dihydropyrimidin-1-yl]propanoic acid methyl ester Methyl 3-[2-(cyanoamino)-6-oxidanylidene-4,5-dihydropyrimidin-1-yl]propanoate Methyl 3-[2-(cyanoamino)-6-oxo-4,5-dihydropyrimidin-1-yl]propanoate
Wiley ID 1224524