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N-carboxy-1-(2,4-dinitrophenyl)-L-histidine, N-tert-butyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

N-carboxy-1-(2,4-dinitrophenyl)-L-histidine, N-tert-butyl ester
SpectraBase Compound ID 6gSR0ixy4wI
InChI InChI=1S/C17H19N5O8/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24)
InChIKey KPGVUOQMOHGHEW-UHFFFAOYSA-N
Mol Weight 421.37 g/mol
Molecular Formula C17H19N5O8
Exact Mass 421.123363 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I65HW8GUbLJ
Name KPGVUOQMOHGHEW-UHFFFAOYSA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19N5O8
InChI InChI=1S/C17H19N5O8/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24)
InChIKey KPGVUOQMOHGHEW-UHFFFAOYSA-N
Literature Reference Author S.ZARAMELLA,P.HEINONEN,E.YEHESKIELY,R.STROEMBERG
Literature Reference Citation J.ORG.CHEM.,68,7521(2003)
Literature Reference DOI 10.1021/jo0347967
Solvent DMSO-D6
Source File Reference UWLU27342