| SpectraBase Spectrum ID |
2TAcUZcaW0P |
| Name |
3-[1-(5-Chloro-2-methyl-phenyl)-eth-(E)-ylidene]-dihydro-furan-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.039671911 u |
| Formula |
C13H11ClO3 |
| InChI |
InChI=1S/C13H11ClO3/c1-7-3-4-9(14)5-10(7)8(2)11-6-12(15)17-13(11)16/h3-5H,6H2,1-2H3/b11-8+ |
| InChIKey |
MKUMARIFQGPEDE-DHZHZOJOSA-N |
| Molecular Weight |
250.681 g/mol |
| SMILES |
C1(\C(CC(O1)=O)=C\(C1=C(C=CC(=C1)Cl)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968168 |
![3-[1-(5-Chloro-2-methyl-phenyl)-eth-(E)-ylidene]-dihydro-furan-2,5-dione](/api/spectrum/2TAcUZcaW0P/structure.png?h=300&w=458 "3-[1-(5-Chloro-2-methyl-phenyl)-eth-(E)-ylidene]-dihydro-furan-2,5-dione")
