![Methyl 5-[4'-(3""-oxopropyl)phenyl]-2-pentenoate](/api/spectrum/CPJQdi07ksh/structure.png?h=300&w=458 "Methyl 5-[4'-(3\"\"-oxopropyl)phenyl]-2-pentenoate")
| SpectraBase Compound ID | LLy8mSAI28w |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-18-15(17)7-3-2-5-13-8-10-14(11-9-13)6-4-12-16/h3,7-12H,2,4-6H2,1H3/b7-3+ |
| InChIKey | BAZUGPDUYVDCAP-XVNBXDOJSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPJQdi07ksh |
|---|---|
| Name | Methyl 5-[4'-(3""-oxopropyl)phenyl]-2-pentenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.125594437 u |
| Formula | C15H18O3 |
| InChI | InChI=1S/C15H18O3/c1-18-15(17)7-3-2-5-13-8-10-14(11-9-13)6-4-12-16/h3,7-12H,2,4-6H2,1H3/b7-3+ |
| InChIKey | BAZUGPDUYVDCAP-XVNBXDOJSA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | C(\C=C\CCC1=CC=C(C=C1)CCC=O)(=O)OC |