| SpectraBase Spectrum ID |
5N136jfHOrZ |
| Name |
1,2-Benzenedicarbonitrile, 4-(4-morpholinyl)-5-[4-(1-oxopropyl)phenoxy]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.142641481 u |
| Formula |
C21H19N3O3 |
| InChI |
InChI=1S/C21H19N3O3/c1-2-20(25)15-3-5-18(6-4-15)27-21-12-17(14-23)16(13-22)11-19(21)24-7-9-26-10-8-24/h3-6,11-12H,2,7-10H2,1H3 |
| InChIKey |
BZRIRAPFINYWKW-UHFFFAOYSA-N |
| Molecular Weight |
361.401 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)C#N)C#N)OC1=CC=C(C(=O)CC)C=C1)N1CCOCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948126 |
![1,2-Benzenedicarbonitrile, 4-(4-morpholinyl)-5-[4-(1-oxopropyl)phenoxy]-](/api/spectrum/5N136jfHOrZ/structure.png?h=300&w=458 "1,2-Benzenedicarbonitrile, 4-(4-morpholinyl)-5-[4-(1-oxopropyl)phenoxy]-")
