| SpectraBase Compound ID | 7CxU7pZOnSb |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-4-5-6-9-12(2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18) |
| InChIKey | DUJBEEUYBSLMGM-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 | FZ3s2zqzsXH |
|---|---|
| Name | 1,2-Benzenedicarboxylic acid, mono(1-methylheptyl) 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/c1-3-4-5-6-9-12(2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18) |
| InChIKey | DUJBEEUYBSLMGM-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OC(CCCCCC)C)C(=O)O |