| SpectraBase Compound ID | 9L22p1zuOsU |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-3-4-5-8-14-24-20(22)17-11-9-12-18(15-17)21(23)25-19-13-7-6-10-16(19)2/h6-7,9-13,15H,3-5,8,14H2,1-2H3 |
| InChIKey | XSCRKOBPSGTIBF-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 | CtRlShtNLQU |
|---|---|
| Name | Isophthalic acid, hexyl 2-methylphenyl 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/c1-3-4-5-8-14-24-20(22)17-11-9-12-18(15-17)21(23)25-19-13-7-6-10-16(19)2/h6-7,9-13,15H,3-5,8,14H2,1-2H3 |
| InChIKey | XSCRKOBPSGTIBF-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1=C(C=CC=C1C(OCCCCCC)=O)C(OC1=CC=CC=C1C)=O |