| SpectraBase Compound ID | 6EBp4pN416u |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3 |
| InChIKey | AGWLNVFDVVPLDL-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5GWvPhPmgu4 |
|---|---|
| Name | p-Tolyl heptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3 |
| InChIKey | AGWLNVFDVVPLDL-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | CCCCCCC(OC1=CC=C(C=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915863 |