| SpectraBase Compound ID | ERqqLpr0mae |
|---|---|
| InChI | InChI=1S/C15H24O2/c1-5-6-7-12(16)17-14-11-9-8-10(2)13(14)15(11,3)4/h8,11,13-14H,5-7,9H2,1-4H3/t11-,13+,14+/m1/s1 |
| InChIKey | VTUXPTJOYLXSHN-XBFCOCLRSA-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 | 2FM6PDQXZxF |
|---|---|
| Name | Trans-chrysanthenyl valerate |
| 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/c1-5-6-7-12(16)17-14-11-9-8-10(2)13(14)15(11,3)4/h8,11,13-14H,5-7,9H2,1-4H3/t11-,13+,14+/m1/s1 |
| InChIKey | VTUXPTJOYLXSHN-XBFCOCLRSA-N |
| Molecular Weight | 236.355 g/mol |
| SMILES | [C@]12(C([C@@](CC=C2C)([H])[C@@]1(OC(CCCC)=O)[H])(C)C)[H] |