| SpectraBase Compound ID | 9JHqNsioHbh |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h5-7H,4,8-10H2,1-3H3/b7-6-,11-5- |
| InChIKey | HLEDYEHPOXYHIQ-PDDHADQFSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wiKPiq1afa |
|---|---|
| Name | Heptenyl angelate, 4Z- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h5-7H,4,8-10H2,1-3H3/b7-6-,11-5- |
| InChIKey | HLEDYEHPOXYHIQ-PDDHADQFSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C\C=C/(C(=O)OCCC\C=C/CC)C |