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(S)-ALPHA-TERT.-BUTOXYCARBONYLAMINO-GAMMA-(2-METHYLSULFONYLPYRIMIDIN-4-YL)-BUTYRIC-ACID-ALPHA-TERT.-BUTYLESTER
SpectraBase Compound ID BUIHYe3x2IL
InChI InChI=1S/C18H29N3O6S/c1-17(2,3)26-14(22)13(21-16(23)27-18(4,5)6)9-8-12-10-11-19-15(20-12)28(7,24)25/h10-11,13H,8-9H2,1-7H3,(H,21,23)/t13-/m1/s1
InChIKey AMQQKJKZERQJSP-CYBMUJFWSA-N
Mol Weight 415.51 g/mol
Molecular Formula C18H29N3O6S
Exact Mass 415.177707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12nkltqhPEb
Name (S)-ALPHA-TERT.-BUTOXYCARBONYLAMINO-GAMMA-(2-METHYLSULFONYLPYRIMIDIN-4-YL)-BUTYRIC-ACID-ALPHA-TERT.-BUTYLESTER
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H29N3O6S
InChI InChI=1S/C18H29N3O6S/c1-17(2,3)26-14(22)13(21-16(23)27-18(4,5)6)9-8-12-10-11-19-15(20-12)28(7,24)25/h10-11,13H,8-9H2,1-7H3,(H,21,23)/t13-/m1/s1
InChIKey AMQQKJKZERQJSP-CYBMUJFWSA-N
Literature Reference Author R.M.ADLINGTON,J.E.BALDWIN,D.CATTERICK,G.J.PRITCHARD
Literature Reference Citation J.CHEM.SOC.PERKIN-1,855(1999)
Literature Reference DOI 10.1039/a806741d
Molecular Weight 415.505 g/mol
Solvent CDCl3
Source File Reference UWPA551