| SpectraBase Compound ID | 8z4BYimNDsi |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-4-7-13-22-17(20)15-10-8-9-11-16(15)18(21)23-14-12-19(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3 |
| InChIKey | MOZMFWSFXMTGKU-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1O3ONdLHM4C |
|---|---|
| Name | Phthalic acid, butyl 2-diethylaminoethyl 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/c1-4-7-13-22-17(20)15-10-8-9-11-16(15)18(21)23-14-12-19(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3 |
| InChIKey | MOZMFWSFXMTGKU-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(=O)OCCN(CC)CC)(OCCCC)=O |