| SpectraBase Spectrum ID |
7XZWDtKUEtm |
| Name |
2-[2'-(3''-Chlorophenylethenyl]-1,4-benzoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.029107228 u |
| Formula |
C14H9ClO2 |
| InChI |
InChI=1S/C14H9ClO2/c15-12-3-1-2-10(8-12)4-5-11-9-13(16)6-7-14(11)17/h1-9H/b5-4+ |
| InChIKey |
DACUFCRCIKHNLH-SNAWJCMRSA-N |
| Molecular Weight |
244.677 g/mol |
| SMILES |
C1(=CC(=O)C=CC1=O)\C=C\C=1C=C(Cl)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934372 |
![2-[2'-(3"-Chlorophenylethenyl]-1,4-benzoquinone](/api/spectrum/7XZWDtKUEtm/structure.png?h=300&w=458 "2-[2'-(3\"-Chlorophenylethenyl]-1,4-benzoquinone")
