| SpectraBase Spectrum ID |
LERCOlOpMDp |
| Name |
4-[4-(4-Nitrobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.069536108 u |
| Formula |
C18H12N2O6 |
| InChI |
InChI=1S/C18H12N2O6/c1-11(21)25-15-8-4-13(5-9-15)17-19-16(18(22)26-17)10-12-2-6-14(7-3-12)20(23)24/h2-10H,1H3/b16-10- |
| InChIKey |
AQZPYZCGXKHRGZ-YBEGLDIGSA-N |
| Molecular Weight |
352.302 g/mol |
| SMILES |
C1(C=2C=CC(OC(C)=O)=CC2)=N\C(=C/C2=CC=C(N(=O)=O)C=C2)C(O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986477 |
![4-[4-(4-Nitrobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl acetate](/api/spectrum/LERCOlOpMDp/structure.png?h=300&w=458 "4-[4-(4-Nitrobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl acetate")
