| SpectraBase Compound ID | AlQSKv8SoWy |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-5-11-21-17(19)15-9-6-10-16(13-15)18(20)22-12-7-8-14(2)3/h6,9-10,13-14H,4-5,7-8,11-12H2,1-3H3 |
| InChIKey | WKJSBHKFTMZZMC-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4tlvSPY9tc |
|---|---|
| Name | Isophthalic acid, butyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-4-5-11-21-17(19)15-9-6-10-16(13-15)18(20)22-12-7-8-14(2)3/h6,9-10,13-14H,4-5,7-8,11-12H2,1-3H3 |
| InChIKey | WKJSBHKFTMZZMC-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CC(C)CCCOC(C=1C=C(C(=O)OCCCC)C=CC1)=O |