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(2R,4S,5S)-2-tert-butyl-5-ethyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylic acid (phenylmethyl) ester
SpectraBase Compound ID 42OOx30J3ts
InChI InChI=1S/C20H30N2O3/c1-7-16-14(2)22(18(20(3,4)5)21-17(16)24-6)19(23)25-13-15-11-9-8-10-12-15/h8-12,14,16,18H,7,13H2,1-6H3/t14-,16-,18+/m0/s1
InChIKey DUWZFYJUNLXTOI-QILLFSRXSA-N
Mol Weight 346.47 g/mol
Molecular Formula C20H30N2O3
Exact Mass 346.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkTNa9UCGqy
Name (2R,4S,5S)-2-tert-butyl-5-ethyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylic acid (phenylmethyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30N2O3
InChI InChI=1S/C20H30N2O3/c1-7-16-14(2)22(18(20(3,4)5)21-17(16)24-6)19(23)25-13-15-11-9-8-10-12-15/h8-12,14,16,18H,7,13H2,1-6H3/t14-,16-,18+/m0/s1
InChIKey DUWZFYJUNLXTOI-QILLFSRXSA-N
Molecular Weight 346.471 g/mol
SMILES [C@]1(N([C@]([C@@](C(=N1)OC)(CC)[H])(C)[H])C(OCc1ccccc1)=O)(C(C)(C)C)[H]
SPLASH splash10-000b-0090000000-ab51350ea49002bed395
Source of Spectrum U1-1999-350-0
Synonyms (2R,4S,5S)-2-tert-butyl-5-ethyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylic acid benzyl ester (phenylmethyl) (2R,4S,5S)-2-tert-butyl-5-ethyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylate benzyl (2R,4S,5S)-2-tert-butyl-5-ethyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylate
Wiley ID 752533