| SpectraBase Spectrum ID |
83qyZmKk45Z |
| Name |
1,4-Diphthalimido-2,3-butanediol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.100836237 u |
| Formula |
C20H16N2O6 |
| InChI |
InChI=1S/C20H16N2O6/c23-15(9-21-17(25)11-5-1-2-6-12(11)18(21)26)16(24)10-22-19(27)13-7-3-4-8-14(13)20(22)28/h1-8,15-16,23-24H,9-10H2 |
| InChIKey |
HSKFDAVXBXVBHW-UHFFFAOYSA-N |
| Molecular Weight |
380.356 g/mol |
| SMILES |
C12=C(C=CC=C2)C(=O)N(C1=O)CC(O)C(CN1C(C2=CC=CC=C2C1=O)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945883 |
