| SpectraBase Compound ID | 6T15e8ek87M |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-3-5-14-24-20(22)17-11-8-12-18(15-17)21(23)25-19-13-7-6-10-16(19)9-4-2/h6-8,10-13,15H,3-5,9,14H2,1-2H3 |
| InChIKey | SHDBSHDSGDINJD-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jnmkq5JZ2C7 |
|---|---|
| Name | Isophthalic acid, butyl 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-3-5-14-24-20(22)17-11-8-12-18(15-17)21(23)25-19-13-7-6-10-16(19)9-4-2/h6-8,10-13,15H,3-5,9,14H2,1-2H3 |
| InChIKey | SHDBSHDSGDINJD-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1(=CC=CC(=C1)C(=O)OCCCC)C(OC=1C(CCC)=CC=CC1)=O |