| SpectraBase Spectrum ID |
7WLV5t3NpTo |
| Name |
Dimethyl (2R,5R)-2-(4-chlorophenyl)-5-methyl-5-phenyldihydrofuran-3,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.107751471 u |
| Formula |
C21H21ClO5 |
| InChI |
InChI=1S/C21H21ClO5/c1-20(15-7-5-4-6-8-15)13-21(18(23)25-2,19(24)26-3)17(27-20)14-9-11-16(22)12-10-14/h4-12,17H,13H2,1-3H3/t17-,20-/m1/s1 |
| InChIKey |
XGVRFVXRJZBEDM-YLJYHZDGSA-N |
| Molecular Weight |
388.847 g/mol |
| SMILES |
[C@]1(O[C@](CC1(C(=O)OC)C(=O)OC)(C1=CC=CC=C1)C)(C1=CC=C(C=C1)Cl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908315 |
