![(S)-2-Amino-5-[2-tolyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone](/api/spectrum/JMlcN7UsmUO/structure.png?h=300&w=458 "(S)-2-Amino-5-[2-tolyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone")
| SpectraBase Compound ID | 2oIhUH3F2X4 |
|---|---|
| InChI | InChI=1S/C37H35N3O3.Ni/c1-27-14-8-9-17-29(27)20-12-23-33(37(42)43)38-35(30-18-6-3-7-19-30)31-21-10-11-22-32(31)39-36(41)34-24-13-25-40(34)26-28-15-4-2-5-16-28;/h2-11,14-19,21-22,33-34H,13,23-26H2,1H3,(H2,38,39,41,42,43);/q;+2/p-2/t33-,34-;/m0./s1 |
| InChIKey | GIHQOYQQCZTKMQ-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 | JMlcN7UsmUO |
|---|---|
| Name | (S)-2-Amino-5-[2-tolyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone |
| Alternate Name(s) | Nickel(II) (benzyl-L-prolyl)(2-((((S)-1-carboxylato-4-(o-tolyl)but-3-yn-1-yl)imino)(phenyl)methyl)phenyl)amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H33N3NiO3 |
| InChI | InChI=1S/C37H35N3O3.Ni/c1-27-14-8-9-17-29(27)20-12-23-33(37(42)43)38-35(30-18-6-3-7-19-30)31-21-10-11-22-32(31)39-36(41)34-24-13-25-40(34)26-28-15-4-2-5-16-28;/h2-11,14-19,21-22,33-34H,13,23-26H2,1H3,(H2,38,39,41,42,43);/q;+2/p-2/t33-,34-;/m0./s1 |
| InChIKey | GIHQOYQQCZTKMQ-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#Cc1ccccc1C)[H])c1ccccc1 |
| SPLASH | splash10-01ox-9730021000-2fad381c5191d27706d9 |
| Source of Spectrum | RSA-5-107407-2d |
| Wiley ID | 1802767 |