| SpectraBase Compound ID | 1O4fx1BVLB2 |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3 |
| InChIKey | UMFTYCUYCNMERS-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 | 7k4MKi6qsO9 |
|---|---|
| Name | Benzoic acid, heptyl ester |
| 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/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3 |
| InChIKey | UMFTYCUYCNMERS-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C1(=CC=CC=C1)C(=O)OCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918124 |