| SpectraBase Compound ID | ClGICjPEHO1 |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-11(2)9-10-12(3)16-14(15)13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9- |
| InChIKey | FBMBBUQCFVGCFV-KTKRTIGZSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6VDBxXF8tuR |
|---|---|
| Name | (Z)-5-Methylhex-3-en-2-yl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-11(2)9-10-12(3)16-14(15)13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9- |
| InChIKey | FBMBBUQCFVGCFV-KTKRTIGZSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(OC(\C=C/C(C)C)C)(=O)C1=CC=CC=C1 |