| SpectraBase Spectrum ID |
BOMF6y1EM8w |
| Name |
Ethyl 4-{2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.189591674 u |
| Formula |
C26H25N3O3 |
| InChI |
InChI=1S/C26H25N3O3/c1-5-32-26(31)20-11-13-22(14-12-20)28-17(2)15-21(19(28)4)16-24-18(3)27-29(25(24)30)23-9-7-6-8-10-23/h6-16H,5H2,1-4H3/b24-16+ |
| InChIKey |
OHWWNQZULSLVNS-LFVJCYFKSA-N |
| Molecular Weight |
427.504 g/mol |
| SMILES |
C1(\C(C(=NN1C=1C=CC=CC1)C)=C\C1=C(N(C2=CC=C(C(=O)OCC)C=C2)C(=C1)C)C)=O |
![ethyl 4-{2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate](/api/spectrum/BOMF6y1EM8w/structure.png?h=300&w=458 "ethyl 4-{2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate")
