| SpectraBase Compound ID | FwLVH89AgXa |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-6-8-12(3)20-16(18)14-10-7-9-13(11-14)15(17)19-5-2/h7,9-12H,4-6,8H2,1-3H3 |
| InChIKey | CODBTLRWIRWOSZ-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 | IBdPRe0bQG3 |
|---|---|
| Name | Isophthalic acid, ethyl hex-2-yl 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/c1-4-6-8-12(3)20-16(18)14-10-7-9-13(11-14)15(17)19-5-2/h7,9-12H,4-6,8H2,1-3H3 |
| InChIKey | CODBTLRWIRWOSZ-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=C(C=CC=C1C(OC(CCCC)C)=O)C(=O)OCC |