| SpectraBase Compound ID | 7Nfja8RZKsU |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-3-19-16(17)11-7-8-14(2)12-18-13-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-13H2,1H3 |
| InChIKey | PLVMCMYHAOFOQV-UHFFFAOYSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3yycehzc6A |
|---|---|
| Name | 5-(Benzoxymethyl)hex-5-enoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-3-19-16(17)11-7-8-14(2)12-18-13-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-13H2,1H3 |
| InChIKey | PLVMCMYHAOFOQV-UHFFFAOYSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C(CCCC(=C)COCC=1C=CC=CC1)(=O)OCC |