| SpectraBase Spectrum ID |
9flF9oDxa09 |
| Name |
4,4'-Methylenebis{1-{3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}piperidine} |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
620.195710987 u |
| Formula |
C33H34Cl2N4O4 |
| InChI |
InChI=1S/C33H34Cl2N4O4/c1-20-28(30(36-42-20)24-7-3-5-9-26(24)34)32(40)38-15-11-22(12-16-38)19-23-13-17-39(18-14-23)33(41)29-21(2)43-37-31(29)25-8-4-6-10-27(25)35/h3-10,22-23H,11-19H2,1-2H3 |
| InChIKey |
BTJKKTSELHBPGD-UHFFFAOYSA-N |
| Molecular Weight |
621.565 g/mol |
| SMILES |
C=1C(=C(C=CC1)Cl)C=1C(=C(ON1)C)C(=O)N1CCC(CC1)CC1CCN(CC1)C(C=1C(=NOC1C)C=1C(=CC=CC1)Cl)=O |
![4,4'-Methylenebis{1-{3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}piperidine}](/api/spectrum/9flF9oDxa09/structure.png?h=300&w=458 "4,4'-Methylenebis{1-{3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}piperidine}")
