| SpectraBase Spectrum ID |
4bjgh8X6CN2 |
| Name |
2-Phenyl-9-[(E)-3-phenylacryloyl]-1,5,9-triazacyclotridecan-4-one |
| CAS Registry Number |
53990-48-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H31N3O2 |
| InChI |
InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+ |
| InChIKey |
OROFOUPCOTVAJQ-CCEZHUSRSA-N |
| Molecular Weight |
405.542 g/mol |
| SMILES |
N1CCCN(CCCCNC(c2ccccc2)CC1=O)C(\C=C\c1ccccc1)=O |
| SPLASH |
splash10-0pir-5930000000-95092428d6fe52a64905 |
| Source of Spectrum |
W5-1989-38234-27302 |
| Synonyms |
2-Phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one
9-[(E)-1-oxo-3-phenylprop-2-enyl]-2-phenyl-1,5,9-triazacyclotridecan-4-one |
| Wiley ID |
1371817 |
![2-Phenyl-9-[(E)-3-phenylacryloyl]-1,5,9-triazacyclotridecan-4-one](/api/spectrum/4bjgh8X6CN2/structure.png?h=300&w=458 "2-Phenyl-9-[(E)-3-phenylacryloyl]-1,5,9-triazacyclotridecan-4-one")
