| SpectraBase Compound ID | 2rZlpjSkre2 |
|---|---|
| InChI | InChI=1S/C36H39N9O3/c1-25-31(34(46)43(37(25)4)28-16-10-7-11-17-28)40-22-41(32-26(2)38(5)44(35(32)47)29-18-12-8-13-19-29)24-42(23-40)33-27(3)39(6)45(36(33)48)30-20-14-9-15-21-30/h7-21H,22-24H2,1-6H3 |
| InChIKey | DAUHSMHMRSEJOS-UHFFFAOYSA-N |
| Mol Weight | 645.8 g/mol |
| Molecular Formula | C36H39N9O3 |
| Exact Mass | 645.317586 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Edd8YZQV9L |
|---|---|
| Name | 4-Methylamino-1,5-dimethyl-2-phenylpyrazol-3(2H)-one trimer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H39N9O3 |
| InChI | InChI=1S/C36H39N9O3/c1-25-31(34(46)43(37(25)4)28-16-10-7-11-17-28)40-22-41(32-26(2)38(5)44(35(32)47)29-18-12-8-13-19-29)24-42(23-40)33-27(3)39(6)45(36(33)48)30-20-14-9-15-21-30/h7-21H,22-24H2,1-6H3 |
| InChIKey | DAUHSMHMRSEJOS-UHFFFAOYSA-N |
| Molecular Weight | 645.768 g/mol |
| SMILES | C=1(C(N(c2ccccc2)N(C1C)C)=O)N1CN(C=2C(N(c3ccccc3)N(C2C)C)=O)CN(C=2C(N(c3ccccc3)N(C2C)C)=O)C1 |
| SPLASH | splash10-0ab9-9720000000-a50ef9c5bfa043d64da7 |
| Source of Spectrum | KC-0-1772-2 |
| Synonyms | 4-[3,5-bis(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,3,5-triazinan-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolone 4-[3,5-bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3,5-triazinan-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one 4-[3,5-bis(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,3,5-triazinan-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one 4-[3,5-bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3,5-triazinan-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one |
| Wiley ID | 821837 |