| SpectraBase Compound ID | AvXjLsYN7G3 |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-6-7-8-13(3)21-17(19)15-11-9-14(10-12-15)16(18)20-5-2/h9-13H,4-8H2,1-3H3 |
| InChIKey | NDYLCUKKNUTEQI-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 | JydSMQa9Muy |
|---|---|
| Name | Terephthalic acid, ethyl 2-heptyl 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/c1-4-6-7-8-13(3)21-17(19)15-11-9-14(10-12-15)16(18)20-5-2/h9-13H,4-8H2,1-3H3 |
| InChIKey | NDYLCUKKNUTEQI-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OCC)=O)C(OC(CCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898039 |