| SpectraBase Spectrum ID |
E80mIh2hSn8 |
| Name |
Benzoic acid, 4-[[(2-methyl-1-oxo-2-propenyl)oxy]butoxy]-,4-cyanophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.141972775 u |
| Formula |
C22H21NO5 |
| InChI |
InChI=1S/C22H21NO5/c1-16(2)21(24)27-14-4-3-13-26-19-11-7-18(8-12-19)22(25)28-20-9-5-17(15-23)6-10-20/h5-12H,1,3-4,13-14H2,2H3 |
| InChIKey |
CXDJMTWJRNKNNU-UHFFFAOYSA-N |
| Molecular Weight |
379.412 g/mol |
| SMILES |
C1(=CC=C(C=C1)C#N)OC(=O)C1=CC=C(C=C1)OCCCCOC(C(C)=C)=O |
![Benzoic acid, 4-[[(2-methyl-1-oxo-2-propenyl)oxy]butoxy]-,4-cyanophenyl ester](/api/spectrum/E80mIh2hSn8/structure.png?h=300&w=458 "Benzoic acid, 4-[[(2-methyl-1-oxo-2-propenyl)oxy]butoxy]-,4-cyanophenyl ester")
