| SpectraBase Spectrum ID |
6eUB7PtQbWa |
| Name |
p-(4-Methyl-1,2-cyclohexanedicarboximido)benzoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.147058156 u |
| Formula |
C18H21NO4 |
| InChI |
InChI=1S/C18H21NO4/c1-3-23-18(22)12-5-7-13(8-6-12)19-16(20)14-9-4-11(2)10-15(14)17(19)21/h5-8,11,14-15H,3-4,9-10H2,1-2H3 |
| InChIKey |
HATHUEWNBMABDW-UHFFFAOYSA-N |
| SMILES |
C12CCC(CC1C(N(C2=O)C=1C=CC(=CC1)C(=O)OCC)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.862034 |
