![4-[p-(Methoxycarbonyl)phenyl]-2-pentanol](/api/spectrum/GA3mMj0q484/structure.png?h=300&w=458 "4-[p-(Methoxycarbonyl)phenyl]-2-pentanol")
| SpectraBase Compound ID | 2dJDgxfwa4x |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-9(8-10(2)14)11-4-6-12(7-5-11)13(15)16-3/h4-7,9-10,14H,8H2,1-3H3 |
| InChIKey | GTQKFKYFPLSKFO-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 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 | GA3mMj0q484 |
|---|---|
| Name | 4-[p-(Methoxycarbonyl)phenyl]-2-pentanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-9(8-10(2)14)11-4-6-12(7-5-11)13(15)16-3/h4-7,9-10,14H,8H2,1-3H3 |
| InChIKey | GTQKFKYFPLSKFO-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | CC(CC(C)C=1C=CC(=CC1)C(=O)OC)O |