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N-CARBONYLBENZYLOXY-N-METHYL-(2,4-DINITROPHENYL)-L-HISTIDINE

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N-CARBONYLBENZYLOXY-N-METHYL-(2,4-DINITROPHENYL)-L-HISTIDINE
SpectraBase Compound ID 64qviFjCAKf
InChI InChI=1S/2C21H19N5O8/c2*1-23(21(29)34-12-14-5-3-2-4-6-14)19(20(27)28)10-16-11-22-13-24(16)17-8-7-15(25(30)31)9-18(17)26(32)33/h2*2-9,11,13,19H,10,12H2,1H3,(H,27,28)/t2*19-/m00/s1
InChIKey MFJXVIUQZOZIEK-KXSSUAHJSA-N
Mol Weight 938.82 g/mol
Molecular Formula C42H38N10O16
Exact Mass 938.246725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kH0DnpsyGU
Name N-CARBONYLBENZYLOXY-N-METHYL-(2,4-DINITROPHENYL)-L-HISTIDINE
Compound Number 84
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H38N10O16
InChI InChI=1S/2C21H19N5O8/c2*1-23(21(29)34-12-14-5-3-2-4-6-14)19(20(27)28)10-16-11-22-13-24(16)17-8-7-15(25(30)31)9-18(17)26(32)33/h2*2-9,11,13,19H,10,12H2,1H3,(H,27,28)/t2*19-/m00/s1
InChIKey MFJXVIUQZOZIEK-KXSSUAHJSA-N
Literature Reference Author L.AURELIO,J.S.BOX,R.T.C.BROWNLEE,A.B.HUGHES,M.M.SLEEBS
Literature Reference Citation J.ORG.CHEM.,68,2652(2003)
Literature Reference DOI 10.1021/jo026722l
Molecular Weight 938.821 g/mol
Solvent CDCl3
Source File Reference UWLU28005