SpectraBase Compound ID | H2PhgkDl2Vj |
---|---|
InChI | InChI=1S/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3 |
InChIKey | UTGSRNVBAFCOEU-UHFFFAOYSA-N |
Mol Weight | 175.06 g/mol |
Molecular Formula | C8H8Cl2 |
Exact Mass | 174.000306 g/mol |
SpectraBase Spectrum ID | ClfXVxtJaEA |
---|---|
Name | 2,5-Dichloro-p-xylene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 174.000305658 u |
Formula | C8H8Cl2 |
InChI | InChI=1S/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3 |
InChIKey | UTGSRNVBAFCOEU-UHFFFAOYSA-N |
Molecular Weight | 175.058 g/mol |
SMILES | C=1C(=C(C=C(C1Cl)C)Cl)C |
Spectrum/Structure Validation Score (Raman) | 0.915871 |