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

*Links on SpectraBase are not permalinks.
(S)-2-Amino-5-[4-chlorobenzene]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone
SpectraBase Compound ID 5wYIcguSWiT
InChI InChI=1S/C36H32ClN3O3.Ni/c37-29-22-20-26(21-23-29)13-9-18-32(36(42)43)38-34(28-14-5-2-6-15-28)30-16-7-8-17-31(30)39-35(41)33-19-10-24-40(33)25-27-11-3-1-4-12-27;/h1-8,11-12,14-17,20-23,32-33H,10,18-19,24-25H2,(H2,38,39,41,42,43);/q;+2/p-2/t32-,33-;/m0./s1
InChIKey XUUQDPJROZLYRL-MLGYITDRSA-L
Mol Weight 646.8 g/mol
Molecular Formula C36H30ClN3NiO3
Exact Mass 645.132912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID B23Nzi7xOS0
Name (S)-2-Amino-5-[4-chlorobenzene]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30ClN3NiO3
InChI InChI=1S/C36H32ClN3O3.Ni/c37-29-22-20-26(21-23-29)13-9-18-32(36(42)43)38-34(28-14-5-2-6-15-28)30-16-7-8-17-31(30)39-35(41)33-19-10-24-40(33)25-27-11-3-1-4-12-27;/h1-8,11-12,14-17,20-23,32-33H,10,18-19,24-25H2,(H2,38,39,41,42,43);/q;+2/p-2/t32-,33-;/m0./s1
InChIKey XUUQDPJROZLYRL-MLGYITDRSA-L
Molecular Weight 646.800 g/mol
SMILES [Ni+2].c1ccc(c(c1)[N-]C(=O)[C@]1(N(CCC1)Cc1ccccc1)[H])C(=N[C@](C([O-])=O)(CC#Cc1ccc(cc1)Cl)[H])c1ccccc1
SPLASH splash10-03xu-9780106000-9ad19a060c0d5e97cefd
Source of Spectrum RSA-5-107407-2h
Synonyms Nickel(II) (benzyl-L-prolyl)(2-((((S)-1-carboxylato-4-(4-chlorophenyl)but-3-yn-1-yl)imino)(phenyl)methyl)phenyl)amide
Wiley ID 1802771