| SpectraBase Compound ID | CQyI8LG64DN |
|---|---|
| InChI | InChI=1S/C21H25N3O4/c1-2-3-7-14-28-19(25)15-22-20(26)16-10-12-18(13-11-16)24-21(27)23-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,22,26)(H2,23,24,27) |
| InChIKey | WVSMDFQTWAUFSH-UHFFFAOYSA-N |
| Mol Weight | 383.45 g/mol |
| Molecular Formula | C21H25N3O4 |
| Exact Mass | 383.184506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7wIzMrC1Zm7 |
|---|---|
| Name | p-(3-Phenylureido)hippuric acid, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.184506293 u |
| Formula | C21H25N3O4 |
| InChI | InChI=1S/C21H25N3O4/c1-2-3-7-14-28-19(25)15-22-20(26)16-10-12-18(13-11-16)24-21(27)23-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,22,26)(H2,23,24,27) |
| InChIKey | WVSMDFQTWAUFSH-UHFFFAOYSA-N |
| Molecular Weight | 383.448 g/mol |
| SMILES | N(C1=CC=CC=C1)C(NC=1C=CC(C(NCC(OCCCCC)=O)=O)=CC1)=O |