| SpectraBase Compound ID | GoS1pPzzBD9 |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-7-15(6-3)21-17(19)14-10-8-13(9-11-14)16(18)20-12-5-2/h8-11,15H,4-7,12H2,1-3H3 |
| InChIKey | ZGKMZEZKIHBLBD-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1frrm0nicC6 |
|---|---|
| Name | Terephthalic acid, 3-hexyl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-4-7-15(6-3)21-17(19)14-10-8-13(9-11-14)16(18)20-12-5-2/h8-11,15H,4-7,12H2,1-3H3 |
| InChIKey | ZGKMZEZKIHBLBD-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(OCCC)=O)C(OC(CCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94723 |