| SpectraBase Spectrum ID |
9GF5CgqdYI5 |
| Name |
(3S)-3-(4-Chlorophenyl)-3-hydroxy-propionic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845159 |
