| SpectraBase Compound ID | 3G62f4LDVJM |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-3-14(17)11(2)16(18)19-15-10-6-8-12-7-4-5-9-13(12)15/h4-10,14,17H,2-3H2,1H3/t14-/m0/s1 |
| InChIKey | DJUJBXCVRRFHHO-AWEZNQCLSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fzLQfvPsMx |
|---|---|
| Name | (3S)-3-Hydroxy-2-methylenepentanoic acid 1-naphthalenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c1-3-14(17)11(2)16(18)19-15-10-6-8-12-7-4-5-9-13(12)15/h4-10,14,17H,2-3H2,1H3/t14-/m0/s1 |
| InChIKey | DJUJBXCVRRFHHO-AWEZNQCLSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C(C(OC1=C2C(C=CC=C2)=CC=C1)=O)(=C)[C@@](O)(CC)[H] |