| SpectraBase Spectrum ID |
4plxsSAraDY |
| Name |
2-Chloranyl-4,8-bis(methylamino)naphthalene-1,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.050905300 u |
| Formula |
C12H11ClN2O2 |
| InChI |
InChI=1S/C12H11ClN2O2/c1-14-7-3-4-9(16)10-8(15-2)5-6(13)12(17)11(7)10/h3-5,14-15H,1-2H3 |
| InChIKey |
QDZYGMLRYFGURB-UHFFFAOYSA-N |
| Molecular Weight |
250.685 g/mol |
| SMILES |
C=12C(=C(NC)C=C(C2=O)Cl)C(=O)C=CC1NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885688 |
