| SpectraBase Compound ID | 3miBS6OPvzx |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-4-6-8-13(3)18-16(17)15-11-9-14(7-5-2)10-12-15/h9-13H,4-8H2,1-3H3 |
| InChIKey | DMFSANMZDZBRKZ-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTFD5Nv9r1T |
|---|---|
| Name | hex-2-yl 4-Propylbenzoate |
| 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/c1-4-6-8-13(3)18-16(17)15-11-9-14(7-5-2)10-12-15/h9-13H,4-8H2,1-3H3 |
| InChIKey | DMFSANMZDZBRKZ-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C1(C(OC(CCCC)C)=O)=CC=C(C=C1)CCC |