| SpectraBase Compound ID | LKIzyjXLBxB |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-5-10-19-14(17)12-8-6-7-9-13(12)15(18)20-11-16(2,3)4/h6-9H,5,10-11H2,1-4H3 |
| InChIKey | PWUVLWVMUBGLNS-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 | LsbIc0ser1M |
|---|---|
| Name | Phthalic acid, neopentyl 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/c1-5-10-19-14(17)12-8-6-7-9-13(12)15(18)20-11-16(2,3)4/h6-9H,5,10-11H2,1-4H3 |
| InChIKey | PWUVLWVMUBGLNS-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=CC(C(OCCC)=O)=C(C=C1)C(OCC(C)(C)C)=O |