| SpectraBase Compound ID | 5DclAIVpSu7 |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-12(15)17-11-5-8-14(16)10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3 |
| InChIKey | GBTDBLWUUGYGRC-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3KILX03Cb8l |
|---|---|
| Name | (4-Oxidanylidene-6-phenyl-hexyl) ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-12(15)17-11-5-8-14(16)10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3 |
| InChIKey | GBTDBLWUUGYGRC-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(=O)(OCCCC(=O)CCC=1C=CC=CC1)C |