![(S)-2-Amino-5-[4-nitrobenzene]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone](/api/spectrum/CQoihvs4y6r/structure.png?h=300&w=458 "(S)-2-Amino-5-[4-nitrobenzene]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone")
| SpectraBase Compound ID | 6VSUlNKEpTw |
|---|---|
| InChI | InChI=1S/C36H32N4O5.Ni/c41-35(33-19-10-24-39(33)25-27-11-3-1-4-12-27)38-31-17-8-7-16-30(31)34(28-14-5-2-6-15-28)37-32(36(42)43)18-9-13-26-20-22-29(23-21-26)40(44)45;/h1-8,11-12,14-17,20-23,32-33H,10,18-19,24-25H2,(H2,37,38,41,42,43);/q;+2/p-2/t32-,33-;/m0./s1 |
| InChIKey | WFSTUCXGJHWSSQ-MLGYITDRSA-L |
| Mol Weight | 657.4 g/mol |
| Molecular Formula | C36H30N4NiO5 |
| Exact Mass | 656.156962 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CQoihvs4y6r |
|---|---|
| Name | (S)-2-Amino-5-[4-nitrobenzene]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H30N4NiO5 |
| InChI | InChI=1S/C36H32N4O5.Ni/c41-35(33-19-10-24-39(33)25-27-11-3-1-4-12-27)38-31-17-8-7-16-30(31)34(28-14-5-2-6-15-28)37-32(36(42)43)18-9-13-26-20-22-29(23-21-26)40(44)45;/h1-8,11-12,14-17,20-23,32-33H,10,18-19,24-25H2,(H2,37,38,41,42,43);/q;+2/p-2/t32-,33-;/m0./s1 |
| InChIKey | WFSTUCXGJHWSSQ-MLGYITDRSA-L |
| Literature Reference DOI | 10.1039/C5RA22407A |
| Molecular Weight | 657.352 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)[N+](=O)[O-])[H])c1ccccc1 |
| SPLASH | splash10-01ox-9831003000-2a85f445d7508da2c10d |
| Source of Spectrum | RSA-5-107408-2k |
| Synonyms | Nickel(II) (benzyl-L-prolyl)(2-((((S)-1-carboxylato-4-(4-nitrophenyl)but-3-yn-1-yl)imino)(phenyl)methyl)phenyl)amide |
| Wiley ID | 1802774 |