| SpectraBase Compound ID | KrZSd0IZWQa |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-11(2)20-15(18)13-9-7-6-8-12(13)14(17)19-10-16(3,4)5/h6-9,11H,10H2,1-5H3 |
| InChIKey | GVLMZLODUOEBOE-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7yg9d0QFhFu |
|---|---|
| Name | Phthalic acid, neopentyl 2-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-11(2)20-15(18)13-9-7-6-8-12(13)14(17)19-10-16(3,4)5/h6-9,11H,10H2,1-5H3 |
| InChIKey | GVLMZLODUOEBOE-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC(C)C)=O)C(OCC(C)(C)C)=O |