| SpectraBase Spectrum ID |
CjRGxw6dzIa |
| Name |
Diethyl 2-(5'-methylhex-4'-enyl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.167459249 u |
| Formula |
C14H24O4 |
| InChI |
InChI=1S/C14H24O4/c1-5-17-13(15)12(14(16)18-6-2)10-8-7-9-11(3)4/h9,12H,5-8,10H2,1-4H3 |
| InChIKey |
CHKHSSBGPFROAV-UHFFFAOYSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)CCCC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979686 |
