| SpectraBase Spectrum ID |
AUVtnjZQe4T |
| Name |
1,3-di[4-Chlorobutyryl]-5-[3,4-dimethoxybenzal]hydantoin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.085491830 u |
| Formula |
C20H22Cl2N2O6 |
| InChI |
InChI=1S/C20H22Cl2N2O6/c1-29-15-8-7-13(12-16(15)30-2)11-14-19(27)24(18(26)6-4-10-22)20(28)23(14)17(25)5-3-9-21/h7-8,11-12H,3-6,9-10H2,1-2H3/b14-11- |
| InChIKey |
XDPGBWDGWORDPE-KAMYIIQDSA-N |
| Molecular Weight |
457.310 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC)OC)\C=C\1N(C(=O)N(C1=O)C(CCCCl)=O)C(CCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86682 |
![1,3-di[4-Chlorobutyryl]-5-[3,4-dimethoxybenzal]hydantoin](/api/spectrum/AUVtnjZQe4T/structure.png?h=300&w=458 "1,3-di[4-Chlorobutyryl]-5-[3,4-dimethoxybenzal]hydantoin")
