| SpectraBase Compound ID | LHl6bGNNkvm |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-5-19(6-2)11-12-22-17(20)15-9-7-8-10-16(15)18(21)23-13-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3 |
| InChIKey | SHXTYYPBGYPFNT-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 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 | 7IwKhdKGb5m |
|---|---|
| Name | Phthalic acid, 2-diethylaminoethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-5-19(6-2)11-12-22-17(20)15-9-7-8-10-16(15)18(21)23-13-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3 |
| InChIKey | SHXTYYPBGYPFNT-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | CC(COC(C1=C(C=CC=C1)C(=O)OCCN(CC)CC)=O)C |