| SpectraBase Compound ID | 8kvazoupj43 |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5- |
| InChIKey | RBGFLIOXJWFKKX-YVMONPNESA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73ge9pjNb7x |
|---|---|
| Name | Butyl angelate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5- |
| InChIKey | RBGFLIOXJWFKKX-YVMONPNESA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CCCCOC(\C(=C/C)C)=O |