| SpectraBase Compound ID | 1GSU8jc9ld9 |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-3-5-7-9-14-23-19(21)17-12-10-11-16(15-17)18(20)22-13-8-6-4-2/h5,7,10-12,15H,3-4,6,8-9,13-14H2,1-2H3/b7-5- |
| InChIKey | QQBIVNHSISUJMO-ALCCZGGFSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GORannjoP7p |
|---|---|
| Name | Isophthalic acid, cis-hex-3-enyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-3-5-7-9-14-23-19(21)17-12-10-11-16(15-17)18(20)22-13-8-6-4-2/h5,7,10-12,15H,3-4,6,8-9,13-14H2,1-2H3/b7-5- |
| InChIKey | QQBIVNHSISUJMO-ALCCZGGFSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCCC)C(OCC\C=C/CC)=O |