| SpectraBase Spectrum ID |
CqCJn8gxcKs |
| Name |
6,6'-Methylenebis(4-chloro-2-nitrophenol) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.975941380 u |
| Formula |
C13H8Cl2N2O6 |
| InChI |
InChI=1S/C13H8Cl2N2O6/c14-8-2-6(12(18)10(4-8)16(20)21)1-7-3-9(15)5-11(13(7)19)17(22)23/h2-5,18-19H,1H2 |
| InChIKey |
ANQYSXNIMYNRQC-UHFFFAOYSA-N |
| Molecular Weight |
359.121 g/mol |
| SMILES |
C1(Cl)=CC(=C(C(=C1)CC1=C(C(=CC(=C1)Cl)N(=O)=O)O)O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844711 |
