| SpectraBase Spectrum ID |
4ymgm6VGkDa |
| Name |
(E)-2-Cyano-N-[4-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]butyl]-3-(3,4-dihydroxyphenyl)-2-propenamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.153934438 u |
| Formula |
C24H22N4O6 |
| InChI |
InChI=1S/C24H22N4O6/c25-13-17(9-15-3-5-19(29)21(31)11-15)23(33)27-7-1-2-8-28-24(34)18(14-26)10-16-4-6-20(30)22(32)12-16/h3-6,9-12,29-32H,1-2,7-8H2,(H,27,33)(H,28,34)/b17-9+,18-10+ |
| InChIKey |
XHDRIPWTMPMRTA-BEQMOXJMSA-N |
| Molecular Weight |
462.462 g/mol |
| SMILES |
C(CCCNC(=O)\C(C#N)=C\C=1C=C(C(=CC1)O)O)NC(=O)\C(C#N)=C\C=1C=C(C(=CC1)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831659 |
![(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]butyl]-3-(3,4-dihydroxyphenyl)-2-propenamide](/api/spectrum/4ymgm6VGkDa/structure.png?h=300&w=458 "(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]butyl]-3-(3,4-dihydroxyphenyl)-2-propenamide")
