| SpectraBase Compound ID | 3bVJQfZi2ud |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-3-5-8-14-22-18(20)12-6-7-13-19(21)23-17-11-9-10-16(4-2)15-17/h9-11,15H,3-8,12-14H2,1-2H3 |
| InChIKey | TWMQSVPTDRFGHW-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 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 | AK3Q1qfXm86 |
|---|---|
| Name | Adipic acid, 3-ethylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-3-5-8-14-22-18(20)12-6-7-13-19(21)23-17-11-9-10-16(4-2)15-17/h9-11,15H,3-8,12-14H2,1-2H3 |
| InChIKey | TWMQSVPTDRFGHW-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCC(OC1=CC=CC(CC)=C1)=O)CC(OCCCCC)=O |