| SpectraBase Compound ID | 5InWuZHjrRn |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-3-6-15(17)8-5-4-7-13-9-11-14(12-10-13)16(18)19-2/h9-12,15,17H,3-8H2,1-2H3 |
| InChIKey | ISCNJMRJVWGALY-UHFFFAOYSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C16H24O3 |
| Exact Mass | 264.172545 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 | FbCnM1EK5hd |
|---|---|
| Name | Methyl 4-(5-hydroxy-octyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.172544630 u |
| Formula | C16H24O3 |
| InChI | InChI=1S/C16H24O3/c1-3-6-15(17)8-5-4-7-13-9-11-14(12-10-13)16(18)19-2/h9-12,15,17H,3-8H2,1-2H3 |
| InChIKey | ISCNJMRJVWGALY-UHFFFAOYSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCCC(CCC)O)(OC)=O |