| SpectraBase Spectrum ID |
LTBxTk1WbET |
| Name |
di-T-Butyl 2-[1-p-nitrophenyl-2-(cyclohexylamino)-2-oxoethyl]malonata |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.252251500 u |
| Formula |
C25H36N2O7 |
| InChI |
InChI=1S/C25H36N2O7/c1-24(2,3)33-22(29)20(23(30)34-25(4,5)6)19(16-12-14-18(15-13-16)27(31)32)21(28)26-17-10-8-7-9-11-17/h12-15,17,19-20H,7-11H2,1-6H3,(H,26,28) |
| InChIKey |
AKZQKTGGAPUHHS-UHFFFAOYSA-N |
| Molecular Weight |
476.570 g/mol |
| SMILES |
C(C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)C(C(NC1CCCCC1)=O)C=1C=CC(N(=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938763 |
![Di-t-butyl 2-[1-p-nitrophenyl-2-(cyclohexylamino)-2-oxoethyl]malonata](/api/spectrum/LTBxTk1WbET/structure.png?h=300&w=458 "Di-t-butyl 2-[1-p-nitrophenyl-2-(cyclohexylamino)-2-oxoethyl]malonata")
