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(2R,6S)-2-tert-butyl-4-keto-6-methyl-hexahydropyrimidine-1-carboxylic acid benzyl ester
SpectraBase Compound ID JMkHa6obmhF
InChI InChI=1S/C17H24N2O3/c1-12-10-14(20)18-15(17(2,3)4)19(12)16(21)22-11-13-8-6-5-7-9-13/h5-9,12,15H,10-11H2,1-4H3,(H,18,20)/t12-,15+/m0/s1
InChIKey ZCQXKMBJHJZJSU-SWLSCSKDSA-N
Mol Weight 304.39 g/mol
Molecular Formula C17H24N2O3
Exact Mass 304.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vnOj8kU8K5
Name (2R,6S)-2-tert-butyl-4-keto-6-methyl-hexahydropyrimidine-1-carboxylic acid benzyl ester
Alternate Name(s) (2R,6S)-2-tert-butyl-6-methyl-4-oxo-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester (phenylmethyl) (2R,6S)-2-tert-butyl-6-methyl-4-oxidanylidene-1,3-diazinane-1-carboxylate benzyl (2R,6S)-2-tert-butyl-6-methyl-4-oxo-1,3-diazinane-1-carboxylate benzyl (2R,6S)-2-tert-butyl-6-methyl-4-oxo-hexahydropyrimidine-1-carboxylate
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Formula C17H24N2O3
InChI InChI=1S/C17H24N2O3/c1-12-10-14(20)18-15(17(2,3)4)19(12)16(21)22-11-13-8-6-5-7-9-13/h5-9,12,15H,10-11H2,1-4H3,(H,18,20)/t12-,15+/m0/s1
InChIKey ZCQXKMBJHJZJSU-SWLSCSKDSA-N
Molecular Weight 304.390 g/mol
SMILES N1C(C[C@@](N([C@@]1(C(C)(C)C)[H])C(OCc1ccccc1)=O)(C)[H])=O
SPLASH splash10-0006-9030000000-ac8fea842b45b9591175
Source of Spectrum U1-1999-344-0
Wiley ID 752563