| SpectraBase Compound ID | KZJuQ2QXnAP |
|---|---|
| InChI | InChI=1S/C15H24O2/c1-9(2)6-14(16)17-13-7-10(3)11-8-12(13)15(11,4)5/h7,9,11-13H,6,8H2,1-5H3 |
| InChIKey | RYICZYJEOUZTHU-UHFFFAOYSA-N |
| Mol Weight | 236.35 g/mol |
| Molecular Formula | C15H24O2 |
| Exact Mass | 236.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Ivb8Pjp85l |
|---|---|
| Name | Trans-verbenyl isovalerate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.177630011 u |
| Formula | C15H24O2 |
| InChI | InChI=1S/C15H24O2/c1-9(2)6-14(16)17-13-7-10(3)11-8-12(13)15(11,4)5/h7,9,11-13H,6,8H2,1-5H3 |
| InChIKey | RYICZYJEOUZTHU-UHFFFAOYSA-N |
| Molecular Weight | 236.355 g/mol |
| SMILES | C(CC(C)C)(=O)OC1C2C(C(C2)C(=C1)C)(C)C |