| SpectraBase Spectrum ID |
G7B5Q8bP380 |
| Name |
Diethyl 2-allyl-2-[2'-cyano-2',4'-hexadienyl]-2-methylmalonate |
| Comments |
Note: The molecular formula of the structure shown is C18H26NO4 - which differs from the formula reported for the mass spectrum (C18H27NO4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NO4 |
| InChI |
InChI=1S/C18H26NO4/c1-6-10-11-15(14-19)13-18(5,12-7-2,16(20)22-8-3)17(21)23-9-4/h6-7,10-11H,2,8-9,12-13H2,1,3-5H3/b10-6+,15-11- |
| InChIKey |
YRPINQBYKWNMID-RCTBWUFCSA-N |
| Molecular Weight |
320.409 g/mol |
| SMILES |
C([C](C(=O)OCC)(C)(C\C(=C\C=C\C)C#N)CC=C)(=O)OCC |
| SPLASH |
splash10-004i-0090000000-15aafe7c24a1a2e54929 |
| Source of Spectrum |
SK-24-2871-5 |
| Wiley ID |
866463 |
![Diethyl 2-allyl-2-[2'-cyano-2',4'-hexadienyl]-2-methylmalonate](/api/spectrum/G7B5Q8bP380/structure.png?h=300&w=458 "Diethyl 2-allyl-2-[2'-cyano-2',4'-hexadienyl]-2-methylmalonate")
