| SpectraBase Compound ID | 6PeHGeS1Ysk |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-3-5-12-19-15(17)10-11-16(18)20-14-9-7-6-8-13(14)4-2/h13-14H,3-12H2,1-2H3 |
| InChIKey | USYPURDIUQHHSZ-UHFFFAOYSA-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 | F89aTMTlxI1 |
|---|---|
| Name | Succinic acid, butyl 2-ethylcyclohexyl 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/c1-3-5-12-19-15(17)10-11-16(18)20-14-9-7-6-8-13(14)4-2/h13-14H,3-12H2,1-2H3 |
| InChIKey | USYPURDIUQHHSZ-UHFFFAOYSA-N |
| SMILES | C(CC(OC1CCCCC1CC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85632 |