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1-[[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-pyrimidine-2,4-quinone
SpectraBase Compound ID CzJitPM6aVV
InChI InChI=1S/C11H16N2O3/c1-7-5-13(11(16)12-10(7)15)6-9-4-8(9)2-3-14/h5,8-9,14H,2-4,6H2,1H3,(H,12,15,16)/t8-,9+/m1/s1
InChIKey LJZRATISRWDFGR-BDAKNGLRSA-N
Mol Weight 224.26 g/mol
Molecular Formula C11H16N2O3
Exact Mass 224.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvmZxahYlb1
Name (+-)-1-{[(1RS,2SR)-trans-2-(2-Hydroxyethyl)cyclopropyl]methyl}-5-methyl-1,2,3,4-tetrahydro-2,4-pyrimidinedione
Alternate Name(s) (+-)-1-{[(1RS,2RS)-cis-2-(2-Hydroxyethyl)cyclopropyl]methyl}-5-methyl-1,2,3,4-tetrahydro-2,4-pyrimidinedione 1-{[2-(2-hydroxyethyl)cyclopropyl]methyl}-5-methyl-2,4(1H,3H)-pyrimidinedione 1-[[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione 1-[[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]methyl]-5-methyl-pyrimidine-2,4-dione
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Formula C11H16N2O3
InChI InChI=1S/C11H16N2O3/c1-7-5-13(11(16)12-10(7)15)6-9-4-8(9)2-3-14/h5,8-9,14H,2-4,6H2,1H3,(H,12,15,16)/t8-,9+/m1/s1
InChIKey LJZRATISRWDFGR-BDAKNGLRSA-N
Molecular Weight 224.260 g/mol
SMILES N1C(C(=CN(C[C@]2([C@](CCO)(C2)[H])[H])C1=O)C)=O
SPLASH splash10-069u-9400000000-7ec54102f091cd9575d7
Source of Spectrum F-55-8420-21
Wiley ID 838568