![(S)-2-Amino-5-[3-tolyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone](/api/spectrum/E2KOlsOLsX8/structure.png?h=300&w=458 "(S)-2-Amino-5-[3-tolyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone")
| SpectraBase Compound ID | KjhZzK5Rqfp |
|---|---|
| InChI | InChI=1S/C37H35N3O3.Ni/c1-27-13-10-16-28(25-27)17-11-22-33(37(42)43)38-35(30-18-6-3-7-19-30)31-20-8-9-21-32(31)39-36(41)34-23-12-24-40(34)26-29-14-4-2-5-15-29;/h2-10,13-16,18-21,25,33-34H,12,22-24,26H2,1H3,(H2,38,39,41,42,43);/q;+2/p-2/t33-,34-;/m0./s1 |
| InChIKey | XLLWUOPNBIZOTN-GFLYYBHISA-L |
| Mol Weight | 626.4 g/mol |
| Molecular Formula | C37H33N3NiO3 |
| Exact Mass | 625.187534 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E2KOlsOLsX8 |
|---|---|
| Name | (S)-2-Amino-5-[3-tolyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H33N3NiO3 |
| InChI | InChI=1S/C37H35N3O3.Ni/c1-27-13-10-16-28(25-27)17-11-22-33(37(42)43)38-35(30-18-6-3-7-19-30)31-20-8-9-21-32(31)39-36(41)34-23-12-24-40(34)26-29-14-4-2-5-15-29;/h2-10,13-16,18-21,25,33-34H,12,22-24,26H2,1H3,(H2,38,39,41,42,43);/q;+2/p-2/t33-,34-;/m0./s1 |
| InChIKey | XLLWUOPNBIZOTN-GFLYYBHISA-L |
| Literature Reference DOI | 10.1039/C5RA22407A |
| Molecular Weight | 626.382 g/mol |
| SMILES | [Ni+2].c1ccc(c(c1)[N-]C(=O)[C@]1(N(CCC1)Cc1ccccc1)[H])C(=N[C@](C([O-])=O)(CC#Cc1cccc(c1)C)[H])c1ccccc1 |
| SPLASH | splash10-02bf-6790125000-d4607f5fda5bb16c7b67 |
| Source of Spectrum | RSA-5-107406-2c |
| Synonyms | Nickel(II) (benzyl-L-prolyl)(2-((((S)-1-carboxylato-4-(m-tolyl)but-3-yn-1-yl)imino)(phenyl)methyl)phenyl)amide |
| Wiley ID | 1802766 |