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(S)-2-Amino-5-[phenyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone
SpectraBase Compound ID B7ettG8pn97
InChI InChI=1S/C36H33N3O3.Ni/c40-35(33-24-13-25-39(33)26-28-16-6-2-7-17-28)38-31-22-11-10-21-30(31)34(29-19-8-3-9-20-29)37-32(36(41)42)23-12-18-27-14-4-1-5-15-27;/h1-11,14-17,19-22,32-33H,13,23-26H2,(H2,37,38,40,41,42);/q;+2/p-2/t32-,33-;/m0./s1
InChIKey DJOOZPBRMQBQSM-MLGYITDRSA-L
Mol Weight 612.4 g/mol
Molecular Formula C36H31N3NiO3
Exact Mass 611.171884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E32WGe2vcpl
Name (S)-2-Amino-5-[phenyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone
Alternate Name(s) Nickel(II) (benzyl-L-prolyl)(2-((((S)-1-carboxylato-4-phenylbut-3-yn-1-yl)imino)(phenyl)methyl)phenyl)amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H31N3NiO3
InChI InChI=1S/C36H33N3O3.Ni/c40-35(33-24-13-25-39(33)26-28-16-6-2-7-17-28)38-31-22-11-10-21-30(31)34(29-19-8-3-9-20-29)37-32(36(41)42)23-12-18-27-14-4-1-5-15-27;/h1-11,14-17,19-22,32-33H,13,23-26H2,(H2,37,38,40,41,42);/q;+2/p-2/t32-,33-;/m0./s1
InChIKey DJOOZPBRMQBQSM-MLGYITDRSA-L
Molecular Weight 612.355 g/mol
SMILES [Ni+2].c1ccc(c(c1)[N-]C(=O)[C@]1(N(CCC1)Cc1ccccc1)[H])C(=N[C@](C([O-])=O)(CC#Cc1ccccc1)[H])c1ccccc1
SPLASH splash10-03xu-8940022000-5931f38d10905fea1971
Source of Spectrum RSA-5-107406-2a
Wiley ID 1802764