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(2R,4S,5S)-2-tert-butyl-6-methoxy-4-methyl-5-(phenylmethyl)-4,5-dihydro-2H-pyrimidine-3-carboxylic acid (phenylmethyl) ester

View entire compound with spectra: 2 MS (GC)

(2R,4S,5S)-2-tert-butyl-6-methoxy-4-methyl-5-(phenylmethyl)-4,5-dihydro-2H-pyrimidine-3-carboxylic acid (phenylmethyl) ester
SpectraBase Compound ID Bt7D4ZY8M5n
InChI InChI=1S/C25H32N2O3/c1-18-21(16-19-12-8-6-9-13-19)22(29-5)26-23(25(2,3)4)27(18)24(28)30-17-20-14-10-7-11-15-20/h6-15,18,21,23H,16-17H2,1-5H3/t18-,21-,23+/m0/s1
InChIKey IAGHSEZDNUNHCG-AVCGJXAMSA-N
Mol Weight 408.5 g/mol
Molecular Formula C25H32N2O3
Exact Mass 408.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuuJ7rmEbD0
Name (2R,4S,5S)-2-tert-butyl-6-methoxy-4-methyl-5-(phenylmethyl)-4,5-dihydro-2H-pyrimidine-3-carboxylic acid (phenylmethyl) ester
Alternate Name(s) (2R,4S,5S)-5-benzyl-2-tert-butyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylic acid benzyl ester (phenylmethyl) (2R,4S,5S)-2-tert-butyl-6-methoxy-4-methyl-5-(phenylmethyl)-4,5-dihydro-2H-pyrimidine-3-carboxylate benzyl (2R,4S,5S)-5-benzyl-2-tert-butyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylate
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Formula C25H32N2O3
InChI InChI=1S/C25H32N2O3/c1-18-21(16-19-12-8-6-9-13-19)22(29-5)26-23(25(2,3)4)27(18)24(28)30-17-20-14-10-7-11-15-20/h6-15,18,21,23H,16-17H2,1-5H3/t18-,21-,23+/m0/s1
InChIKey IAGHSEZDNUNHCG-AVCGJXAMSA-N
Molecular Weight 408.542 g/mol
SMILES [C@]1(N([C@]([C@@](C(=N1)OC)(Cc1ccccc1)[H])(C)[H])C(OCc1ccccc1)=O)(C(C)(C)C)[H]
SPLASH splash10-0006-9007000000-8119fe2c93101ac9f78f
Source of Spectrum U1-1999-349-22
Wiley ID 752536