| SpectraBase Compound ID | 5J8I7aWzSMH |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-13(8-9-15-17(2,12-18)21-15)10-11-20-16(19)14-6-4-3-5-7-14/h3-7,10,15,18H,8-9,11-12H2,1-2H3/b13-10+ |
| InChIKey | CJYXCFMZYNOVCL-JLHYYAGUSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbJ0XrK4Wv8 |
|---|---|
| Name | (+,-)-6,7-epoxy-8-hydroxygeranyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-13(8-9-15-17(2,12-18)21-15)10-11-20-16(19)14-6-4-3-5-7-14/h3-7,10,15,18H,8-9,11-12H2,1-2H3/b13-10+ |
| InChIKey | CJYXCFMZYNOVCL-JLHYYAGUSA-N |
| SMILES | C1(OC1CC\C(=C\COC(=O)C1=CC=CC=C1)C)(CO)C |