| SpectraBase Compound ID | 72fWCXtLMHN |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-3-5-10-20-15(17)13-8-6-7-9-14(13)16(18)21-12-11-19-4-2/h6-9H,3-5,10-12H2,1-2H3 |
| InChIKey | IWBBILRPQDNSTH-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZC8d5VbbzQ |
|---|---|
| Name | Phthalic acid, 2-ethoxyethyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-3-5-10-20-15(17)13-8-6-7-9-14(13)16(18)21-12-11-19-4-2/h6-9H,3-5,10-12H2,1-2H3 |
| InChIKey | IWBBILRPQDNSTH-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | C1(=C(C=CC=C1)C(=O)OCCOCC)C(OCCCC)=O |