![Methyl 5-methyl-2-oxo-3-[2-(4-hydroxyphenyl)ethyl]cyclopentanecarboxylate](/api/spectrum/J3TNMEcCquX/structure.png?h=300&w=458 "Methyl 5-methyl-2-oxo-3-[2-(4-hydroxyphenyl)ethyl]cyclopentanecarboxylate")
| SpectraBase Compound ID | 6U0QqNhwJ1r |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-10-9-12(15(18)14(10)16(19)20-2)6-3-11-4-7-13(17)8-5-11/h4-5,7-8,10,12,14,17H,3,6,9H2,1-2H3/t10-,12?,14+/m0/s1 |
| InChIKey | WAEHIIKNOJSYME-RCYCPFCNSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 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 | J3TNMEcCquX |
|---|---|
| Name | Methyl 5-methyl-2-oxo-3-[2-(4-hydroxyphenyl)ethyl]cyclopentanecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-10-9-12(15(18)14(10)16(19)20-2)6-3-11-4-7-13(17)8-5-11/h4-5,7-8,10,12,14,17H,3,6,9H2,1-2H3/t10-,12?,14+/m0/s1 |
| InChIKey | WAEHIIKNOJSYME-RCYCPFCNSA-N |
| SMILES | [C@]1(C(C(CCC2=CC=C(C=C2)O)C[C@@]1(C)[H])=O)(C(=O)OC)[H] |