| SpectraBase Compound ID | 1g61F8f86N9 |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-2-3-4-5-9-12-16-14(15)17-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3 |
| InChIKey | QEEKDIUXTJLWMX-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNRJnZYOggU |
|---|---|
| Name | Carbonic acid, heptyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-2-3-4-5-9-12-16-14(15)17-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3 |
| InChIKey | QEEKDIUXTJLWMX-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C1=CC=CC=C1OC(OCCCCCCC)=O |