| SpectraBase Spectrum ID |
2nd9wL3VBCa |
| Name |
1-[6-[2,4-bis(Chloranyl)phenoxy]hexa-2,4-diynoxy]-2,4-bis(chloranyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.943490360 u |
| Formula |
C18H10Cl4O2 |
| InChI |
InChI=1S/C18H10Cl4O2/c19-13-5-7-17(15(21)11-13)23-9-3-1-2-4-10-24-18-8-6-14(20)12-16(18)22/h5-8,11-12H,9-10H2 |
| InChIKey |
MJQRPFKOVVCXJF-UHFFFAOYSA-N |
| Molecular Weight |
400.088 g/mol |
| SMILES |
C(C#CC#CCOC=1C(=CC(=CC1)Cl)Cl)OC=1C(=CC(=CC1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910134 |
![1-[6-[2,4-bis(Chloranyl)phenoxy]hexa-2,4-diynoxy]-2,4-bis(chloranyl)benzene](/api/spectrum/2nd9wL3VBCa/structure.png?h=300&w=458 "1-[6-[2,4-bis(Chloranyl)phenoxy]hexa-2,4-diynoxy]-2,4-bis(chloranyl)benzene")
