| SpectraBase Compound ID | 3h2oIKVd2aQ |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-2-20-15(18)6-4-3-5-7-16(19)21-14-10-8-13(12-17)9-11-14/h8-12H,2-7H2,1H3 |
| InChIKey | DLPXPVZDYMRSNX-UHFFFAOYSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2H5O7mpawFg |
|---|---|
| Name | Pimelic acid, ethyl 4-formylphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.131073739 u |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-2-20-15(18)6-4-3-5-7-16(19)21-14-10-8-13(12-17)9-11-14/h8-12H,2-7H2,1H3 |
| InChIKey | DLPXPVZDYMRSNX-UHFFFAOYSA-N |
| SMILES | C(OC1=CC=C(C=C1)C=O)(=O)CCCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856394 |