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(2R,4S,5S)-2-tert-butyl-5-isopropyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylic acid benzyl ester
SpectraBase Compound ID 5KJvp3QHdpe
InChI InChI=1S/C21H32N2O3/c1-14(2)17-15(3)23(19(21(4,5)6)22-18(17)25-7)20(24)26-13-16-11-9-8-10-12-16/h8-12,14-15,17,19H,13H2,1-7H3/t15-,17-,19+/m0/s1
InChIKey URCRGXDLVZKEEP-VDZJLULYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C21H32N2O3
Exact Mass 360.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2SsEC9FXYe
Name (2R,4S,5S)-2-tert-butyl-5-isopropyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylic acid benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32N2O3
InChI InChI=1S/C21H32N2O3/c1-14(2)17-15(3)23(19(21(4,5)6)22-18(17)25-7)20(24)26-13-16-11-9-8-10-12-16/h8-12,14-15,17,19H,13H2,1-7H3/t15-,17-,19+/m0/s1
InChIKey URCRGXDLVZKEEP-VDZJLULYSA-N
Molecular Weight 360.498 g/mol
SMILES [C@]1(N([C@]([C@@](C(=N1)OC)(C(C)C)[H])(C)[H])C(OCc1ccccc1)=O)(C(C)(C)C)[H]
SPLASH splash10-0k96-9064000000-a5766128c8f5529bf5e6
Source of Spectrum U1-1999-350-0
Synonyms (2R,4S,5S)-2-tert-butyl-6-methoxy-4-methyl-5-propan-2-yl-4,5-dihydro-2H-pyrimidine-3-carboxylic acid (phenylmethyl) ester (phenylmethyl) (2R,4S,5S)-2-tert-butyl-6-methoxy-4-methyl-5-propan-2-yl-4,5-dihydro-2H-pyrimidine-3-carboxylate benzyl (2R,4S,5S)-2-tert-butyl-5-isopropyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylate benzyl (2R,4S,5S)-2-tert-butyl-6-methoxy-4-methyl-5-propan-2-yl-4,5-dihydro-2H-pyrimidine-3-carboxylate
Wiley ID 752532