| SpectraBase Spectrum ID |
5NYvdmUTBcp |
| Name |
(2S,3S,5R)-5-Hydroxy-3-p-chlorophenyl-5-methyl-2-phenyltetrahydrofuran-2-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.081536723 u |
| Formula |
C18H17ClO4 |
| InChI |
InChI=1S/C18H17ClO4/c1-17(22)11-15(12-7-9-14(19)10-8-12)18(23-17,16(20)21)13-5-3-2-4-6-13/h2-10,15,22H,11H2,1H3,(H,20,21)/t15-,17+,18+/m0/s1 |
| InChIKey |
WMANJGFGKWNRMT-CGTJXYLNSA-N |
| Molecular Weight |
332.783 g/mol |
| SMILES |
[C@]1([C@@](C[C@@](O1)(O)C)(C=1C=CC(=CC1)Cl)[H])(C(=O)O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891715 |
