![(S)-2-Amino-5-[4-tolyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone](/api/spectrum/2VtRQcwtMhy/structure.png?h=300&w=458 "(S)-2-Amino-5-[4-tolyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone")
| SpectraBase Compound ID | 4OKXGbawplS |
|---|---|
| InChI | InChI=1S/C37H35N3O3.Ni/c1-27-21-23-28(24-22-27)14-10-19-33(37(42)43)38-35(30-15-6-3-7-16-30)31-17-8-9-18-32(31)39-36(41)34-20-11-25-40(34)26-29-12-4-2-5-13-29;/h2-9,12-13,15-18,21-24,33-34H,11,19-20,25-26H2,1H3,(H2,38,39,41,42,43);/q;+2/p-2/t33-,34-;/m0./s1 |
| InChIKey | ADMNJKRLRWORTE-GFLYYBHISA-L |
| Mol Weight | 626.4 g/mol |
| Molecular Formula | C37H33N3NiO3 |
| Exact Mass | 625.187534 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2VtRQcwtMhy |
|---|---|
| Name | (S)-2-Amino-5-[4-tolyl]pent-4-ynoic acid-Ni-(S)-N-(benzylprolyl)aminobenzophenone |
| Alternate Name(s) | Nickel(II) (benzyl-L-prolyl)(2-((((S)-1-carboxylato-4-(p-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/c1-27-21-23-28(24-22-27)14-10-19-33(37(42)43)38-35(30-15-6-3-7-16-30)31-17-8-9-18-32(31)39-36(41)34-20-11-25-40(34)26-29-12-4-2-5-13-29;/h2-9,12-13,15-18,21-24,33-34H,11,19-20,25-26H2,1H3,(H2,38,39,41,42,43);/q;+2/p-2/t33-,34-;/m0./s1 |
| InChIKey | ADMNJKRLRWORTE-GFLYYBHISA-L |
| 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#Cc1ccc(cc1)C)[H])c1ccccc1 |
| SPLASH | splash10-01ox-9750023000-0e54bbb5a768d3b0b560 |
| Source of Spectrum | RSA-5-107406-2b |
| Wiley ID | 1802765 |