| SpectraBase Spectrum ID |
DFcd5Wb0MTW |
| Name |
(3Z)-1-Acetyl-3-m-anisylidene-piperazine-2,5-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.095356935 u |
| Formula |
C14H14N2O4 |
| InChI |
InChI=1S/C14H14N2O4/c1-9(17)16-8-13(18)15-12(14(16)19)7-10-4-3-5-11(6-10)20-2/h3-7H,8H2,1-2H3,(H,15,18)/b12-7- |
| InChIKey |
NFWYGOOFSWOKGU-GHXNOFRVSA-N |
| SMILES |
C1(N(CC(N\C1=C\C=1C=C(OC)C=CC1)=O)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829952 |
