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(S)-2-[(TERT.-BUTOXYCARBONYL)-AMINO]-3-[6-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-1H-INDOL-3-YL]-PROPANOIC-ACID
SpectraBase Compound ID 36HGRzDAAjL
InChI InChI=1S/C18H19F3N4O4/c1-16(2,3)29-15(28)23-13(14(26)27)6-9-8-22-12-7-10(4-5-11(9)12)17(24-25-17)18(19,20)21/h4-5,7-8,13,22H,6H2,1-3H3,(H,23,28)(H,26,27)
InChIKey PTOTWNLWIGHXMF-UHFFFAOYSA-N
Mol Weight 412.37 g/mol
Molecular Formula C18H19F3N4O4
Exact Mass 412.13584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EF7wPL2TNfQ
Name (S)-2-[(TERT.-BUTOXYCARBONYL)-AMINO]-3-[6-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-1H-INDOL-3-YL]-PROPANOIC-ACID
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19F3N4O4
InChI InChI=1S/C18H19F3N4O4/c1-16(2,3)29-15(28)23-13(14(26)27)6-9-8-22-12-7-10(4-5-11(9)12)17(24-25-17)18(19,20)21/h4-5,7-8,13,22H,6H2,1-3H3,(H,23,28)(H,26,27)
InChIKey PTOTWNLWIGHXMF-UHFFFAOYSA-N
Literature Reference Author T.WARTMANN,T.LINDEL
Literature Reference Citation EUR.J.ORG.CHEM.,2013,1649(2013)
Literature Reference DOI 10.1002/ejoc.201201726
Molecular Weight 412.368 g/mol
Solvent CD3OD
Source File Reference UWBT17930