| SpectraBase Compound ID | 4vxWM2ikL1i |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-4-6-8-9-10-12-17-26-22(24)20-15-13-16-21(18-20)23(25)27-19(3)14-11-7-5-2/h13,15-16,18-19H,4-12,14,17H2,1-3H3 |
| InChIKey | ZZNLNFGQHKNQPB-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gK3uHgPfMg |
|---|---|
| Name | Isophthalic acid, hept-2-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-4-6-8-9-10-12-17-26-22(24)20-15-13-16-21(18-20)23(25)27-19(3)14-11-7-5-2/h13,15-16,18-19H,4-12,14,17H2,1-3H3 |
| InChIKey | ZZNLNFGQHKNQPB-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC(C)CCCCC)=O)C(=O)OCCCCCCCC |