| SpectraBase Compound ID | iBE1w65r3o |
|---|---|
| InChI | InChI=1S/C13H17ClO3/c1-13(2,3)17-12(16)8-11(15)9-4-6-10(14)7-5-9/h4-7,11,15H,8H2,1-3H3/t11-/m0/s1 |
| InChIKey | JXAQRILJTUCCKS-NSHDSACASA-N |
| Mol Weight | 256.73 g/mol |
| Molecular Formula | C13H17ClO3 |
| Exact Mass | 256.086622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gj7rdcN2Tdb |
|---|---|
| Name | (3S)-3-(4-Chlorophenyl)-3-hydroxy-propionic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.086622104 u |
| Formula | C13H17ClO3 |
| InChI | InChI=1S/C13H17ClO3/c1-13(2,3)17-12(16)8-11(15)9-4-6-10(14)7-5-9/h4-7,11,15H,8H2,1-3H3/t11-/m0/s1 |
| InChIKey | JXAQRILJTUCCKS-NSHDSACASA-N |
| Molecular Weight | 256.729 g/mol |
| SMILES | C(C[C@](O)(C=1C=CC(=CC1)Cl)[H])(=O)OC(C)(C)C |