| SpectraBase Compound ID | 3PzFwE4zjDU |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-3-4-5-9-12-16(18-14(2)17)13-15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-13H2,1-2H3 |
| InChIKey | QUQJUIVDJGPDFV-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LFDCxu2KMzA |
|---|---|
| Name | (2-Acetoxyoctyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-3-4-5-9-12-16(18-14(2)17)13-15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-13H2,1-2H3 |
| InChIKey | QUQJUIVDJGPDFV-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C=1(C=CC=CC1)CC(CCCCCC)OC(=O)C |