| SpectraBase Compound ID | AhpNfuIDRhZ |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-4-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10(2)3/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | CCNUUQDSEZYWTB-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 | 1lt88nkqiUV |
|---|---|
| Name | Phthalic acid, isoporpyl propyl 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/c1-4-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10(2)3/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | CCNUUQDSEZYWTB-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | C(C1=CC=CC=C1C(=O)OC(C)C)(=O)OCCC |