| SpectraBase Compound ID | 6h4ySiLpnsg |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-5-12-17(4)23-19(21)14-11-9-7-6-8-10-13-18(20)22-15-16(2)3/h5,16-17H,1,6-15H2,2-4H3 |
| InChIKey | IRACLSLDWMQWFK-UHFFFAOYSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 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 | Fqa86k6DGPd |
|---|---|
| Name | Sebacic acid, isobutyl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-5-12-17(4)23-19(21)14-11-9-7-6-8-10-13-18(20)22-15-16(2)3/h5,16-17H,1,6-15H2,2-4H3 |
| InChIKey | IRACLSLDWMQWFK-UHFFFAOYSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(CCC(OC(C)CC=C)=O)CCCCCC(OCC(C)C)=O |