| SpectraBase Spectrum ID |
JrudkYEst0Z |
| Name |
Diethyl 2-allyl-2-[(2E,4E)2'-(methoxycarbonyl)-2',4'-hexadienyl]malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.172938551 u |
| Formula |
C18H26O6 |
| InChI |
InChI=1S/C18H26O6/c1-6-10-11-14(15(19)22-5)13-18(12-7-2,16(20)23-8-3)17(21)24-9-4/h6-7,10-11H,2,8-9,12-13H2,1,3-5H3/b10-6+,14-11+ |
| InChIKey |
CGHLJFGSWQDRER-YMOPAIQUSA-N |
| Molecular Weight |
338.400 g/mol |
| SMILES |
C(C\C(C(=O)OC)=C/C=C/C)(C(=O)OCC)(C(=O)OCC)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969106 |
![Diethyl 2-allyl-2-[(2E,4E)2'-(methoxycarbonyl)-2',4'-hexadienyl]malonate](/api/spectrum/JrudkYEst0Z/structure.png?h=300&w=458 "Diethyl 2-allyl-2-[(2E,4E)2'-(methoxycarbonyl)-2',4'-hexadienyl]malonate")
