| SpectraBase Spectrum ID |
BKWTyiTwYH0 |
| Name |
4-(3,4-Diacetoxybenzylidene)-2-(4-nitrophenyl)-2-oxazolin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.075015411 u |
| Formula |
C20H14N2O8 |
| InChI |
InChI=1S/C20H14N2O8/c1-11(23)28-17-8-3-13(10-18(17)29-12(2)24)9-16-20(25)30-19(21-16)14-4-6-15(7-5-14)22(26)27/h3-10H,1-2H3/b16-9- |
| InChIKey |
DUSUPQRGBHGVDR-SXGWCWSVSA-N |
| Molecular Weight |
410.338 g/mol |
| SMILES |
C1(\C(N=C(O1)c1ccc(cc1)N(=O)=O)=C\c1cc(c(cc1)OC(=O)C)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969473 |
