| SpectraBase Spectrum ID |
KJ3x8iMNwCC |
| Name |
2,4-Dichloro-3,5-xylenol, p-nitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.006513234 u |
| Formula |
C15H11Cl2NO4 |
| InChI |
InChI=1S/C15H11Cl2NO4/c1-8-7-12(14(17)9(2)13(8)16)22-15(19)10-3-5-11(6-4-10)18(20)21/h3-7H,1-2H3 |
| InChIKey |
IQYLBDKYCCCYFT-UHFFFAOYSA-N |
| Molecular Weight |
340.162 g/mol |
| SMILES |
N(=O)(=O)C1=CC=C(C(OC=2C=C(C(=C(C2Cl)C)Cl)C)=O)C=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.962703 |
