| SpectraBase Compound ID | JQu6pJJovDK |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-9-14(10-5-2)22-18(20)16-12-8-7-11-15(16)17(19)21-13-6-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3 |
| InChIKey | HQEZQOJZXABAKM-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 | DRisXob1i4R |
|---|---|
| Name | Phthalic acid, hept-4-yl propyl 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/c1-4-9-14(10-5-2)22-18(20)16-12-8-7-11-15(16)17(19)21-13-6-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3 |
| InChIKey | HQEZQOJZXABAKM-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OC(CCC)CCC)=O)C(OCCC)=O |