| SpectraBase Compound ID | GKALPkMOJYv |
|---|---|
| InChI | InChI=1S/C18H24O2/c1-15(2)9-7-10-16(3)11-8-14-18(19)20-17-12-5-4-6-13-17/h4-6,9,11-13H,7-8,10,14H2,1-3H3/b16-11- |
| InChIKey | PCXFODQCJDGIDX-WJDWOHSUSA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C18H24O2 |
| Exact Mass | 272.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDtFdGxLPyO |
|---|---|
| Name | Neryl phenylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.177630011 u |
| Formula | C18H24O2 |
| InChI | InChI=1S/C18H24O2/c1-15(2)9-7-10-16(3)11-8-14-18(19)20-17-12-5-4-6-13-17/h4-6,9,11-13H,7-8,10,14H2,1-3H3/b16-11- |
| InChIKey | PCXFODQCJDGIDX-WJDWOHSUSA-N |
| SMILES | C(=CCC\C(C)=C/CCC(OC1=CC=CC=C1)=O)(C)C |