| SpectraBase Spectrum ID |
1cKc5ztCd5m |
| Name |
alpha,alpha'-bis(3-Chloro-6-hydroxy-2,4-xylyl)-3-chloro-2,6-xylenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.071277698 u |
| Formula |
C24H23Cl3O3 |
| InChI |
InChI=1S/C24H23Cl3O3/c1-11-7-20(28)16(13(3)22(11)26)9-15-5-6-19(25)18(24(15)30)10-17-14(4)23(27)12(2)8-21(17)29/h5-8,28-30H,9-10H2,1-4H3 |
| InChIKey |
HKISTCRIFLNCCX-UHFFFAOYSA-N |
| Molecular Weight |
465.804 g/mol |
| SMILES |
OC1=C(C=CC(=C1CC=1C(=C(C(=CC1O)C)Cl)C)Cl)CC1=C(C(=C(C=C1O)C)Cl)C |
| Spectrum/Structure Validation Score (Raman) |
0.876478 |
