| SpectraBase Compound ID | F02UDshQ1Du |
|---|---|
| InChI | InChI=1S/C14H23ClO4/c1-2-3-11-18-13(16)8-9-14(17)19-12-7-5-4-6-10-15/h8-9H,2-7,10-12H2,1H3/b9-8+ |
| InChIKey | NCCYCDQNINJGGZ-CMDGGOBGSA-N |
| Mol Weight | 290.79 g/mol |
| Molecular Formula | C14H23ClO4 |
| Exact Mass | 290.128487 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Qdw0Ac8rv2 |
|---|---|
| Name | Fumaric acid, butyl 6-chlorohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.128486917 u |
| Formula | C14H23ClO4 |
| InChI | InChI=1S/C14H23ClO4/c1-2-3-11-18-13(16)8-9-14(17)19-12-7-5-4-6-10-15/h8-9H,2-7,10-12H2,1H3/b9-8+ |
| InChIKey | NCCYCDQNINJGGZ-CMDGGOBGSA-N |
| SMILES | C(OC(\C=C\C(OCCCCCCCl)=O)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822927 |