| SpectraBase Compound ID | 961IxufkZRr |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-4-7-10(2)18-14(16)12-9-6-5-8-11(12)13(15)17-3/h5-6,8-10H,4,7H2,1-3H3 |
| InChIKey | YTHPHGWTOWIKBU-UHFFFAOYSA-N |
| Mol Weight | 250.29 g/mol |
| Molecular Formula | C14H18O4 |
| Exact Mass | 250.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SM9hYRGbEF |
|---|---|
| Name | Phthalic acid, methyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.120509056 u |
| Formula | C14H18O4 |
| InChI | InChI=1S/C14H18O4/c1-4-7-10(2)18-14(16)12-9-6-5-8-11(12)13(15)17-3/h5-6,8-10H,4,7H2,1-3H3 |
| InChIKey | YTHPHGWTOWIKBU-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC)=O)C(OC(C)CCC)=O |