| SpectraBase Spectrum ID |
42JiU4g7Hlb |
| Name |
Diethyl 2-(1-hydroxy-2-phenylcyclopropyl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.131073739 u |
| Formula |
C16H20O5 |
| InChI |
InChI=1S/C16H20O5/c1-3-20-14(17)13(15(18)21-4-2)16(19)10-12(16)11-8-6-5-7-9-11/h5-9,12-13,19H,3-4,10H2,1-2H3/t12?,16-/m1/s1 |
| InChIKey |
TWFHXSXLAOSKRK-PVQCJRHBSA-N |
| SMILES |
[C@@]1(C(C2=CC=CC=C2)C1)(C(C(=O)OCC)C(=O)OCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958001 |
