| SpectraBase Spectrum ID |
5HGc9SCyBMR |
| Name |
Methyl 4-[(3,5-ditert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)amino]benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.199093730 u |
| Formula |
C22H27NO3 |
| InChI |
InChI=1S/C22H27NO3/c1-21(2,3)17-12-16(13-18(19(17)24)22(4,5)6)23-15-10-8-14(9-11-15)20(25)26-7/h8-13H,1-7H3 |
| InChIKey |
KLIPGXHIQKZMLV-UHFFFAOYSA-N |
| Molecular Weight |
353.462 g/mol |
| SMILES |
C=1(C(C(C(C)(C)C)=CC(C1)=NC=1C=CC(C(=O)OC)=CC1)=O)C(C)(C)C |
![Methyl 4-[(3,5-ditert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)amino]benzoate](/api/spectrum/5HGc9SCyBMR/structure.png?h=300&w=458 "Methyl 4-[(3,5-ditert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)amino]benzoate")
