| SpectraBase Compound ID | KroZnApYOoF |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-4-7-10-13(5-2)19-15(17)12-9-8-11-14(16)18-6-3/h13H,4-12H2,1-3H3 |
| InChIKey | AVFPIBYODQDMSN-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5eMN7ehZmUe |
|---|---|
| Name | Adipic acid, ethyl 3-heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-4-7-10-13(5-2)19-15(17)12-9-8-11-14(16)18-6-3/h13H,4-12H2,1-3H3 |
| InChIKey | AVFPIBYODQDMSN-UHFFFAOYSA-N |
| SMILES | C(C(OC(CC)CCCC)=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883021 |