| SpectraBase Compound ID | EvGJoatphxD |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-5-6-7-11-21-17(19)15-9-8-10-16(12-15)18(20)22-13-14(2)3/h8-10,12,14H,4-7,11,13H2,1-3H3 |
| InChIKey | XFHBULOVMHMROW-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 | B2D1sYr1FgM |
|---|---|
| Name | Isophthalic acid, hexyl isobutyl 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/c1-4-5-6-7-11-21-17(19)15-9-8-10-16(12-15)18(20)22-13-14(2)3/h8-10,12,14H,4-7,11,13H2,1-3H3 |
| InChIKey | XFHBULOVMHMROW-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(CCCOC(C1=CC(C(OCC(C)C)=O)=CC=C1)=O)CC |