| SpectraBase Spectrum ID |
5KKYpGsFgt7 |
| Name |
(R)-Diethyl 2-(1-(3-chlorophenyl)-3-oxopropan-2-yl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.092101407 u |
| Formula |
C16H19ClO5 |
| InChI |
InChI=1S/C16H19ClO5/c1-3-21-15(19)14(16(20)22-4-2)12(10-18)8-11-6-5-7-13(17)9-11/h5-7,9-10,12,14H,3-4,8H2,1-2H3/t12-/m0/s1 |
| InChIKey |
FXRNMTXFIBOIPC-LBPRGKRZSA-N |
| Molecular Weight |
326.776 g/mol |
| SMILES |
C=1(C=C(C[C@](C(C(OCC)=O)C(OCC)=O)(C=O)[H])C=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92361 |
