For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-CARBONYLBENZYLOXY-N(IMID)-(2,4-DINITROPHENYL)-L-HISTIDINE-HYDROCHLORIDE-SALT
SpectraBase Compound ID Ioy64VkmWYO
InChI InChI=1S/2C20H17N5O8.2ClH/c2*26-19(27)16(22-20(28)33-11-13-4-2-1-3-5-13)8-15-10-21-12-23(15)17-7-6-14(24(29)30)9-18(17)25(31)32;;/h2*1-7,9-10,12,16H,8,11H2,(H,22,28)(H,26,27);2*1H/t2*16-;;/m00../s1
InChIKey INRCNTZSJLSQAB-DDZMJONUSA-N
Mol Weight 983.69 g/mol
Molecular Formula C40H36Cl2N10O16
Exact Mass 982.168781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EGJNnSUHsTS
Name N-CARBONYLBENZYLOXY-N(IMID)-(2,4-DINITROPHENYL)-L-HISTIDINE-HYDROCHLORIDE-SALT
Compound Number 82
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H36Cl2N10O16
InChI InChI=1S/2C20H17N5O8.2ClH/c2*26-19(27)16(22-20(28)33-11-13-4-2-1-3-5-13)8-15-10-21-12-23(15)17-7-6-14(24(29)30)9-18(17)25(31)32;;/h2*1-7,9-10,12,16H,8,11H2,(H,22,28)(H,26,27);2*1H/t2*16-;;/m00../s1
InChIKey INRCNTZSJLSQAB-DDZMJONUSA-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 983.689 g/mol
Solvent DMSO-D6
Source File Reference UWLU28003