| SpectraBase Compound ID | LfeyzEWYkq2 |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-2-17-13(15)8-12(14)10-16-9-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3 |
| InChIKey | HMHGAAZSPNXMCQ-UHFFFAOYSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwRR5KhOKR0 |
|---|---|
| Name | Butanoic acid, 3-hydroxy-4-(benzyloxy)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-2-17-13(15)8-12(14)10-16-9-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3 |
| InChIKey | HMHGAAZSPNXMCQ-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C1=CC=CC(=C1)COCC(O)CC(=O)OCC |