| SpectraBase Spectrum ID |
11t5RPA5P1g |
| Name |
Acetamide, N-acetyl-N-[4-[7-(acetyloxy)-2-oxo-2H-1-benzopyran-3-yl]phenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.105587265 u |
| Formula |
C21H17NO6 |
| InChI |
InChI=1S/C21H17NO6/c1-12(23)22(13(2)24)17-7-4-15(5-8-17)19-10-16-6-9-18(27-14(3)25)11-20(16)28-21(19)26/h4-11H,1-3H3 |
| InChIKey |
XZPQXHKDYHPAEK-UHFFFAOYSA-N |
| Molecular Weight |
379.368 g/mol |
| SMILES |
CC(=O)OC1=CC=C2C(=C1)OC(C(=C2)C1=CC=C(C=C1)N(C(C)=O)C(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962538 |
![Acetamide, N-acetyl-N-[4-[7-(acetyloxy)-2-oxo-2H-1-benzopyran-3-yl]phenyl]-](/api/spectrum/11t5RPA5P1g/structure.png?h=300&w=458 "Acetamide, N-acetyl-N-[4-[7-(acetyloxy)-2-oxo-2H-1-benzopyran-3-yl]phenyl]-")
