John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=34AJlanO7nM SpectraBase Spectrum ID=2VAWhB83VFG

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(DL)-N-(ALPHA)-BENZOYL-N-1-(OXOBUT-1-YL)-HISTIDINE-METHYLAMIDE
SpectraBase Compound ID 34AJlanO7nM
InChI InChI=1S/C18H22N4O3/c1-13(23)8-9-22-11-15(20-12-22)10-16(18(25)19-2)21-17(24)14-6-4-3-5-7-14/h3-7,11-12,16H,8-10H2,1-2H3,(H,19,25)(H,21,24)
InChIKey RZUJWKNYVHJPSH-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C18H22N4O3
Exact Mass 342.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VAWhB83VFG
Name (DL)-N-(ALPHA)-BENZOYL-N-1-(OXOBUT-1-YL)-HISTIDINE-METHYLAMIDE
CAS Registry Number 120546-83-0
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N4O3
InChI InChI=1S/C18H22N4O3/c1-13(23)8-9-22-11-15(20-12-22)10-16(18(25)19-2)21-17(24)14-6-4-3-5-7-14/h3-7,11-12,16H,8-10H2,1-2H3,(H,19,25)(H,21,24)
InChIKey RZUJWKNYVHJPSH-UHFFFAOYSA-N
Literature Reference Author S.ABUZAR,H.KOHN
Literature Reference Citation J.AM.CHEM.SOC.,111,4895(1989)
Literature Reference DOI 10.1021/ja00195a049
Molecular Weight 342.398 g/mol
Solvent DMSO-D6
Source File Reference UWCS12960
SpectraBase Batch ID 9AKvbzVDGRO