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Benzyl rac-(1'R,2R,5R,6S)-2-(t-butyl)-5-(1'-hydroxyethyl)-6-methyl-4-methoxy-5,6-dihydro-2H-pyrimidine-1-carboxylate
SpectraBase Compound ID H35g9YkNGfT
InChI InChI=1S/C20H30N2O4/c1-13-16(14(2)23)17(25-6)21-18(20(3,4)5)22(13)19(24)26-12-15-10-8-7-9-11-15/h7-11,13-14,16,18,23H,12H2,1-6H3/t13-,14+,16+,18+/m0/s1
InChIKey IGPNUQGITYFYEX-GARXJVFOSA-N
Mol Weight 362.47 g/mol
Molecular Formula C20H30N2O4
Exact Mass 362.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1abHDKwlkmI
Name Benzyl rac-(1'R,2R,5R,6S)-2-(t-butyl)-5-(1'-hydroxyethyl)-6-methyl-4-methoxy-5,6-dihydro-2H-pyrimidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30N2O4
InChI InChI=1S/C20H30N2O4/c1-13-16(14(2)23)17(25-6)21-18(20(3,4)5)22(13)19(24)26-12-15-10-8-7-9-11-15/h7-11,13-14,16,18,23H,12H2,1-6H3/t13-,14+,16+,18+/m0/s1
InChIKey IGPNUQGITYFYEX-GARXJVFOSA-N
Molecular Weight 362.470 g/mol
SMILES O[C@@]([C@@]1(C(OC)=N[C@](N([C@]1(C)[H])C(OCc1ccccc1)=O)(C(C)(C)C)[H])[H])(C)[H]
SPLASH splash10-052f-9244000000-4899df5f75b467fa12d0
Source of Spectrum U1-1999-351-0
Synonyms (2R,4S,5R)-2-tert-butyl-5-[(1R)-1-hydroxyethyl]-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylic acid (phenylmethyl) ester benzyl (2R,4S,5R)-2-tert-butyl-5-[(1R)-1-hydroxyethyl]-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylate (phenylmethyl) (2R,4S,5R)-2-tert-butyl-6-methoxy-4-methyl-5-[(1R)-1-oxidanylethyl]-4,5-dihydro-2H-pyrimidine-3-carboxylate
Wiley ID 752526