| SpectraBase Compound ID | 2Lm28lW1F9c |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-9-13(7-3)19-15(17)11-12-16(18)20-14(8-4)10-6-2/h11-14H,5-10H2,1-4H3/b12-11+ |
| InChIKey | HHLWMGRFYRRHBH-VAWYXSNFSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4MxHuiltrBj |
|---|---|
| Name | Fumaric acid, di(3-hexyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-9-13(7-3)19-15(17)11-12-16(18)20-14(8-4)10-6-2/h11-14H,5-10H2,1-4H3/b12-11+ |
| InChIKey | HHLWMGRFYRRHBH-VAWYXSNFSA-N |
| SMILES | C(OC(CC)CCC)(\C=C\C(OC(CC)CCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9733 |