| SpectraBase Compound ID | 5DsimjLVGIn |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-11(2)9-12(3)15(16)18-10-13-5-7-14(17-4)8-6-13/h5-9,12H,10H2,1-4H3/t12-/m0/s1 |
| InChIKey | SGCNGGAHNIAMFC-LBPRGKRZSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlubCIhg6uB |
|---|---|
| Name | 3-Pentenoic acid, 2,4-dimethyl-, (4-methoxyphenyl)methyl ester, (S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.141244501 u |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-11(2)9-12(3)15(16)18-10-13-5-7-14(17-4)8-6-13/h5-9,12H,10H2,1-4H3/t12-/m0/s1 |
| InChIKey | SGCNGGAHNIAMFC-LBPRGKRZSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C([C@](C=C(C)C)(C)[H])(OCC=1C=CC(=CC1)OC)=O |