| SpectraBase Spectrum ID |
1rL1a8fpBWa |
| Name |
2-Cyano-5-(4'-methoxyphenyl)hex-4-enoic acid ethyl ester |
| Alternate Name(s) |
ethyl (4E)-2-cyano-5-(4-methoxyphenyl)-4-hexenoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19NO3 |
| InChI |
InChI=1S/C16H19NO3/c1-4-20-16(18)14(11-17)6-5-12(2)13-7-9-15(19-3)10-8-13/h5,7-10,14H,4,6H2,1-3H3/b12-5+ |
| InChIKey |
SCDSXWOXPHQXHH-LFYBBSHMSA-N |
| Molecular Weight |
273.332 g/mol |
| SMILES |
C(C(C\C=C/(C)c1ccc(cc1)OC)C#N)(=O)OCC |
| SPLASH |
splash10-03di-0910000000-a40dcc07a80edb0f09bb |
| Source of Spectrum |
QF-9-6054-5 |
| Wiley ID |
1559126 |
