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(5S)-3-ISOBUTYL-5-[(1S)-1-(TERT.-BUTYLOXYCARBONYLAMINO)-2-PHENYLETHYL]-1-[(1S)-1-METHOXYCARBONYLETHYL]-2-OXO-1,2,5,6-TETRAHYDROPYRAZINE
SpectraBase Compound ID 1NVycWNE4Az
InChI InChI=1S/C25H37N3O5/c1-16(2)13-20-22(29)28(17(3)23(30)32-7)15-21(26-20)19(14-18-11-9-8-10-12-18)27-24(31)33-25(4,5)6/h8-12,16-17,19,21H,13-15H2,1-7H3,(H,27,31)/t17-,19-,21+/m0/s1
InChIKey QPSJKHYYZKYNKJ-HFSMHLIXSA-N
Mol Weight 459.6 g/mol
Molecular Formula C25H37N3O5
Exact Mass 459.273321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbbxV5JgLjH
Name (5S)-3-ISOBUTYL-5-[(1S)-1-(TERT.-BUTYLOXYCARBONYLAMINO)-2-PHENYLETHYL]-1-[(1S)-1-METHOXYCARBONYLETHYL]-2-OXO-1,2,5,6-TETRAHYDROPYRAZINE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H37N3O5
InChI InChI=1S/C25H37N3O5/c1-16(2)13-20-22(29)28(17(3)23(30)32-7)15-21(26-20)19(14-18-11-9-8-10-12-18)27-24(31)33-25(4,5)6/h8-12,16-17,19,21H,13-15H2,1-7H3,(H,27,31)/t17-,19-,21+/m0/s1
InChIKey QPSJKHYYZKYNKJ-HFSMHLIXSA-N
Literature Reference Author S.HERRERO,M.T.GARCIA-LOPEZ,M.LATORRE,E.CENARRUZABEITIA,J.D.R IO,R.HERRANZ
Literature Reference Citation J.ORG.CHEM.,67,3866(2002)
Literature Reference DOI 10.1021/jo0256336
Molecular Weight 459.586 g/mol
Solvent CDCl3
Source File Reference UWLU26045