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t-Butyl rac-(2S,5R)-2-(t-butyl)-5-[cyclohex-2'-enyl]-4-methoxy-5,6-dihydro-2H-pyrimidine-1-carboxylate
SpectraBase Compound ID uQ0xffW6ce
InChI InChI=1S/C20H34N2O3/c1-19(2,3)17-21-16(24-7)15(14-11-9-8-10-12-14)13-22(17)18(23)25-20(4,5)6/h9,11,14-15,17H,8,10,12-13H2,1-7H3/t14?,15-,17-/m0/s1
InChIKey UELYBCCMBSBCNE-ZWBSKUQPSA-N
Mol Weight 350.5 g/mol
Molecular Formula C20H34N2O3
Exact Mass 350.256943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzBZbaTHFFn
Name t-Butyl rac-(2S,5R)-2-(t-butyl)-5-[cyclohex-2'-enyl]-4-methoxy-5,6-dihydro-2H-pyrimidine-1-carboxylate
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34N2O3
InChI InChI=1S/C20H34N2O3/c1-19(2,3)17-21-16(24-7)15(14-11-9-8-10-12-14)13-22(17)18(23)25-20(4,5)6/h9,11,14-15,17H,8,10,12-13H2,1-7H3/t14?,15-,17-/m0/s1
InChIKey UELYBCCMBSBCNE-ZWBSKUQPSA-N
Molecular Weight 350.503 g/mol
SMILES [C@@]1(N(C[C@](C(=N1)OC)(C1C=CCCC1)[H])C(OC(C)(C)C)=O)(C(C)(C)C)[H]
SPLASH splash10-0019-9010000000-90287d0f3e6b4ba17a6c
Source of Spectrum U1-1999-348-0
Synonyms tert-butyl (2S,5R)-2-tert-butyl-5-(2-cyclohexen-1-yl)-4-methoxy-5,6-dihydro-1(2H)-pyrimidinecarboxylate
Wiley ID 752541