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1,3-(S)-BIS-(CARBXYMETHYL)-9-[1'(S)-3'-ACETYLAMIDE-2'-PHENYLETHYL]-2,5,7-TRIOXO-1,4,8-TRIAZADECANE
SpectraBase Compound ID JEO5pCvMEdX
InChI InChI=1S/C21H26N4O8/c1-13(26)22-16(9-14-5-3-2-4-6-14)25-8-7-24(12-20(31)32)21(33)15(10-19(29)30)23-17(27)11-18(25)28/h2-6,15-16H,7-12H2,1H3,(H,22,26)(H,23,27)(H,29,30)(H,31,32)/t15-,16+/m0/s1
InChIKey MKZQDTAGTWCVHS-JKSUJKDBSA-N
Mol Weight 462.46 g/mol
Molecular Formula C21H26N4O8
Exact Mass 462.175064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXS3LfuQaLY
Name 1,3-(S)-BIS-(CARBXYMETHYL)-9-[1'(S)-3'-ACETYLAMIDE-2'-PHENYLETHYL]-2,5,7-TRIOXO-1,4,8-TRIAZADECANE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N4O8
InChI InChI=1S/C21H26N4O8/c1-13(26)22-16(9-14-5-3-2-4-6-14)25-8-7-24(12-20(31)32)21(33)15(10-19(29)30)23-17(27)11-18(25)28/h2-6,15-16H,7-12H2,1H3,(H,22,26)(H,23,27)(H,29,30)(H,31,32)/t15-,16+/m0/s1
InChIKey MKZQDTAGTWCVHS-JKSUJKDBSA-N
Literature Reference Author Y.HAN,C.GIRAGOSSIAN,D.F.MIERKE,M.CHOREV
Literature Reference Citation J.ORG.CHEM.,67,5085(2002)
Literature Reference DOI 10.1021/jo011041w
Molecular Weight 462.459 g/mol
Solvent Unknown
Source File Reference UWMS24717