| SpectraBase Compound ID | 3Bsx6uDH9bT |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-3-5-6-7-8-13-22-18(20)16-11-9-10-15(14-16)17(19)21-12-4-2/h9-11,14H,3-8,12-13H2,1-2H3 |
| InChIKey | WRAJULVTTBXLQE-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 | JWt6VC4gzC7 |
|---|---|
| Name | Isophthalic acid, heptyl propyl 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/c1-3-5-6-7-8-13-22-18(20)16-11-9-10-15(14-16)17(19)21-12-4-2/h9-11,14H,3-8,12-13H2,1-2H3 |
| InChIKey | WRAJULVTTBXLQE-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCCCCCCOC(C=1C=C(C(OCCC)=O)C=CC1)=O |