| SpectraBase Spectrum ID |
CRKFCZPQOIa |
| Name |
Methyl 4-[4'-(N,N-diisopropylaminocarbonyl)benzoyl]-benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.178358285 u |
| Formula |
C22H25NO4 |
| InChI |
InChI=1S/C22H25NO4/c1-14(2)23(15(3)4)21(25)18-10-6-16(7-11-18)20(24)17-8-12-19(13-9-17)22(26)27-5/h6-15H,1-5H3 |
| InChIKey |
SPDIASNDLKGOEI-UHFFFAOYSA-N |
| Molecular Weight |
367.445 g/mol |
| SMILES |
C(N(C(C)C)C(C)C)(C=1C=CC(C(C=2C=CC(C(=O)OC)=CC2)=O)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851926 |
![Methyl 4-[4'-(N,N-diisopropylaminocarbonyl)benzoyl]-benzoate](/api/spectrum/CRKFCZPQOIa/structure.png?h=300&w=458 "Methyl 4-[4'-(N,N-diisopropylaminocarbonyl)benzoyl]-benzoate")
