| SpectraBase Compound ID | 8BQYfuZc97H |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-2-3-7-15-22-18(20)13-8-14-19(21)23-16-9-12-17-10-5-4-6-11-17/h4-6,9-12H,2-3,7-8,13-16H2,1H3/b12-9+ |
| InChIKey | WAEPAEDHIPTSMS-FMIVXFBMSA-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 | JpqKsmy90Qp |
|---|---|
| Name | Glutaric acid, pentyl 3-phenylprop-2-enyl 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/c1-2-3-7-15-22-18(20)13-8-14-19(21)23-16-9-12-17-10-5-4-6-11-17/h4-6,9-12H,2-3,7-8,13-16H2,1H3/b12-9+ |
| InChIKey | WAEPAEDHIPTSMS-FMIVXFBMSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1=CC=C(C=C1)\C=C\COC(CCCC(OCCCCC)=O)=O |