| SpectraBase Compound ID | JzCV4oCAlsP |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-5-7-11-15(3)23-19(21)17-13-9-10-14-18(17)20(22)24-16(4)12-8-6-2/h5-6,9-10,13-16H,1-2,7-8,11-12H2,3-4H3 |
| InChIKey | DTSSSGMZZNOCNU-UHFFFAOYSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C20H26O4 |
| Exact Mass | 330.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9JUqIj7enD |
|---|---|
| Name | Phthalic acid, di-(1-hexen-5-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.183109313 u |
| Formula | C20H26O4 |
| InChI | InChI=1S/C20H26O4/c1-5-7-11-15(3)23-19(21)17-13-9-10-14-18(17)20(22)24-16(4)12-8-6-2/h5-6,9-10,13-16H,1-2,7-8,11-12H2,3-4H3 |
| InChIKey | DTSSSGMZZNOCNU-UHFFFAOYSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1C(OC(CCC=C)C)=O)OC(C)CCC=C |