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(+-)-3-Benzoyl-1-{[(1RS,2SR)-trans-2-(2-hydroxyethyl)cyclopropyl]methyl}-1,2,3,4-tetrahydro-2,4-pyrimidinedione
SpectraBase Compound ID C7SorhrLdbP
InChI InChI=1S/C17H18N2O4/c20-9-7-13-10-14(13)11-18-8-6-15(21)19(17(18)23)16(22)12-4-2-1-3-5-12/h1-6,8,13-14,20H,7,9-11H2/t13-,14+/m1/s1
InChIKey NTLMDYHEYXALTH-KGLIPLIRSA-N
Mol Weight 314.34 g/mol
Molecular Formula C17H18N2O4
Exact Mass 314.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJLUgl7xIrP
Name (+-)-3-Benzoyl-1-{[(1RS,2SR)-trans-2-(2-hydroxyethyl)cyclopropyl]methyl}-1,2,3,4-tetrahydro-2,4-pyrimidinedione
Alternate Name(s) (+-)-3-Benzoyl-1-{[(1RS,2RS)-cis-2-(2-hydroxyethyl)cyclopropyl]methyl}-1,2,3,4-tetrahydro-2,4-pyrimidinedione 3-Benzoyl-1-{[2-(2-hydroxyethyl)cyclopropyl]methyl}-2,4(1H,3H)-pyrimidinedione 3-Benzoyl-1-[[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]methyl]pyrimidine-2,4-dione 1-[[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]methyl]-3-(phenylcarbonyl)pyrimidine-2,4-dione
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Formula C17H18N2O4
InChI InChI=1S/C17H18N2O4/c20-9-7-13-10-14(13)11-18-8-6-15(21)19(17(18)23)16(22)12-4-2-1-3-5-12/h1-6,8,13-14,20H,7,9-11H2/t13-,14+/m1/s1
InChIKey NTLMDYHEYXALTH-KGLIPLIRSA-N
Molecular Weight 314.341 g/mol
SMILES OCC[C@]1([C@](CN2C(N(C(=O)c3ccccc3)C(C=C2)=O)=O)(C1)[H])[H]
SPLASH splash10-0a4i-0920000000-666432d204e03e84dfa6
Source of Spectrum F-55-8421-23
Wiley ID 838566