| SpectraBase Spectrum ID |
FKo4UPlJxr2 |
| Name |
(E)-Diethyl 2-(-6-chloro-1-phenyl-2-hexenyl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.144136981 u |
| Formula |
C19H25ClO4 |
| InChI |
InChI=1S/C19H25ClO4/c1-3-23-18(21)17(19(22)24-4-2)16(13-9-6-10-14-20)15-11-7-5-8-12-15/h5,7-9,11-13,16-17H,3-4,6,10,14H2,1-2H3/b13-9+ |
| InChIKey |
VUFCFRKFZYSTKS-UKTHLTGXSA-N |
| Molecular Weight |
352.858 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)C(\C=C\CCCCl)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921557 |
