| SpectraBase Spectrum ID |
6i9bqqWxaZY |
| Name |
N-[3-Acetamido-1,4-dioxo-1,2,3,4-tetrahydronaphthalen-2-ylidene]butanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.095356935 u |
| Formula |
C16H14N2O4 |
| InChI |
InChI=1S/C16H14N2O4/c1-3-6-12(20)18-14-13(17-9(2)19)15(21)10-7-4-5-8-11(10)16(14)22/h4-5,7-8H,3,6H2,1-2H3/b17-13+,18-14- |
| InChIKey |
LPLXUXBJNYRIRN-XINBEAJESA-N |
| Molecular Weight |
298.298 g/mol |
| SMILES |
C12=C(C=CC=C2)C(\C(\C(C1=O)=N/C(C)=O)=N/C(CCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86282 |
![N-[3-Acetamido-1,4-dioxo-1,2,3,4-tetrahydronaphthalen-2-ylidene]butanamide](/api/spectrum/6i9bqqWxaZY/structure.png?h=300&w=458 "N-[3-Acetamido-1,4-dioxo-1,2,3,4-tetrahydronaphthalen-2-ylidene]butanamide")
