SpectraBase Spectrum ID |
2XQWe7BoIc0 |
Name |
Ether, 4-chloro-m-tolyl p-nitro- phenyl, |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
263.034920883 u |
Formula |
C13H10ClNO3 |
InChI |
InChI=1S/C13H10ClNO3/c1-9-8-12(6-7-13(9)14)18-11-4-2-10(3-5-11)15(16)17/h2-8H,1H3 |
InChIKey |
MNBIAOIXTNGEQR-UHFFFAOYSA-N |
Molecular Weight |
263.680 g/mol |
SMILES |
N(=O)(=O)C=1C=CC(OC2=CC(C)=C(Cl)C=C2)=CC1 |
Spectrum/Structure Validation Score (Raman) |
0.902332 |