| SpectraBase Compound ID | LFTWxB292gL |
|---|---|
| InChI | InChI=1S/C10H7ClO3/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(8)13/h1-4,8H,5H2 |
| InChIKey | JKYPBYBOZSIRFW-UHFFFAOYSA-N |
| Mol Weight | 210.62 g/mol |
| Molecular Formula | C10H7ClO3 |
| Exact Mass | 210.008372 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JnqCCDSxCvJ |
|---|---|
| Name | 3-(4-Chlorophenyl)dihydro-2,5-furandione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.008371782 u |
| Formula | C10H7ClO3 |
| InChI | InChI=1S/C10H7ClO3/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(8)13/h1-4,8H,5H2 |
| InChIKey | JKYPBYBOZSIRFW-UHFFFAOYSA-N |
| Molecular Weight | 210.616 g/mol |
| SMILES | C1(OC(CC1C1=CC=C(C=C1)Cl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969098 |