| SpectraBase Spectrum ID |
FjEDIZUG8Xc |
| Name |
2,3-di-o-Benzoyl-D,L-glycerononitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.084457899 u |
| Formula |
C17H13NO4 |
| InChI |
InChI=1S/C17H13NO4/c18-11-15(22-17(20)14-9-5-2-6-10-14)12-21-16(19)13-7-3-1-4-8-13/h1-10,15H,12H2 |
| InChIKey |
LKIMWUXHYSHMQF-UHFFFAOYSA-N |
| Molecular Weight |
295.294 g/mol |
| SMILES |
C(C(OC(=O)C1=CC=CC=C1)C#N)OC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959104 |
