| SpectraBase Spectrum ID |
E3jICI4nycM |
| Name |
o-Chloroaniline, picrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.015976339 u |
| Formula |
C12H9ClN4O7 |
| InChI |
InChI=1S/C6H6ClN.C6H3N3O7/c7-5-3-1-2-4-6(5)8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4H,8H2;1-2,10H |
| InChIKey |
GIQQSQLKKKEIDP-UHFFFAOYSA-N |
| Molecular Weight |
356.678 g/mol |
| SMILES |
N(=O)(=O)C=1C(=C(C=C(C1)N(=O)=O)N(=O)=O)O.NC=1C=CC=CC1Cl |
| Spectrum/Structure Validation Score (Raman) |
0.932269 |
