| SpectraBase Compound ID | G6atkxp3S52 |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-12(6-5-9-14(15)16)10-17-11-13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2,(H,15,16) |
| InChIKey | FASOMNKNJHNGIU-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 | JFPJk1Ftrjv |
|---|---|
| Name | 5-(Benzoxymethyl)hex-5-enoic acid |
| 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(6-5-9-14(15)16)10-17-11-13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2,(H,15,16) |
| InChIKey | FASOMNKNJHNGIU-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(CCCC(=C)COCC=1C=CC=CC1)(=O)O |