| SpectraBase Compound ID | fwX2CDt0SM |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-20(2,3)13-24-18(21)16-7-5-6-8-17(16)19(22)25-15-11-9-14(23-4)10-12-15/h5-12H,13H2,1-4H3 |
| InChIKey | SAMURLSWYMMSKS-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBLewaMU3Zc |
|---|---|
| Name | Phthalic acid, 4-methoxyphenyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.146723803 u |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/c1-20(2,3)13-24-18(21)16-7-5-6-8-17(16)19(22)25-15-11-9-14(23-4)10-12-15/h5-12H,13H2,1-4H3 |
| InChIKey | SAMURLSWYMMSKS-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC1=CC=C(OC)C=C1)=O)C(OCC(C)(C)C)=O |