| SpectraBase Compound ID | A9A0kBQjYeV |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-11(15)13(14(16)17-2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10H2,1-2H3 |
| InChIKey | QRCVGJJZFCVIEJ-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbF7uwXujZ4 |
|---|---|
| Name | Benzenepentanoic acid, alpha-acetyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-11(15)13(14(16)17-2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10H2,1-2H3 |
| InChIKey | QRCVGJJZFCVIEJ-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C1=C(C=CC=C1)CCCC(C(C)=O)C(OC)=O |