| SpectraBase Compound ID | B8CEhSURz98 |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-3-5-6-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-4-2/h5-8,10-11H,3-4,9,12-13H2,1-2H3/b6-5+ |
| InChIKey | CKQVXANJGMVCSY-AATRIKPKSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 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 | ECwqQ1WbAT0 |
|---|---|
| Name | Phthalic acid, propyl trans-hex-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-3-5-6-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-4-2/h5-8,10-11H,3-4,9,12-13H2,1-2H3/b6-5+ |
| InChIKey | CKQVXANJGMVCSY-AATRIKPKSA-N |
| SMILES | C1(=CC=CC=C1C(OCCC)=O)C(OCC\C=C\CC)=O |