| SpectraBase Compound ID | HAD8pmiGZnG |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-9-13(3)21-17(19)15-11-7-8-12-16(15)18(20)22-14(4)10-6-2/h7-8,11-14H,5-6,9-10H2,1-4H3 |
| InChIKey | LGOBSDYKTFVEGD-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FtJFKFFkstc |
|---|---|
| Name | Phthalic acid, bis(2-pentyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-5-9-13(3)21-17(19)15-11-7-8-12-16(15)18(20)22-14(4)10-6-2/h7-8,11-14H,5-6,9-10H2,1-4H3 |
| InChIKey | LGOBSDYKTFVEGD-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CC(OC(C1=C(C=CC=C1)C(OC(C)CCC)=O)=O)CCC |