| SpectraBase Compound ID | 1YlcPfXShIU |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-14(2,3)9-18-13(16)11-8-6-5-7-10(11)12(15)17-4/h5-8H,9H2,1-4H3 |
| InChIKey | LJBHDCZOMUACDL-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 | 616oKQOUJly |
|---|---|
| Name | Phthalic acid, methyl neopentyl 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/c1-14(2,3)9-18-13(16)11-8-6-5-7-10(11)12(15)17-4/h5-8H,9H2,1-4H3 |
| InChIKey | LJBHDCZOMUACDL-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | CC(C)(C)COC(=O)C1=C(C=CC=C1)C(OC)=O |