| SpectraBase Compound ID | F9uW3pmau9y |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-6-7-8-9-10-14-24-19(22)17-12-11-13-18(15-17)20(23)25-16(2)21(3,4)5/h11-13,15-16H,6-10,14H2,1-5H3 |
| InChIKey | KMCYRCSSYSUMGJ-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 990CcZEsEl1 |
|---|---|
| Name | Isophthalic acid, 3,3-dimethylbut-2-yl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-6-7-8-9-10-14-24-19(22)17-12-11-13-18(15-17)20(23)25-16(2)21(3,4)5/h11-13,15-16H,6-10,14H2,1-5H3 |
| InChIKey | KMCYRCSSYSUMGJ-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC(C(C)(C)C)C)=O)C(=O)OCCCCCCC |