| SpectraBase Compound ID | HNWltYjdI78 |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-20-15(18)12-10-8-6-7-9-11-13-16(19)21-14-17(2,3)4/h5-14H2,1-4H3 |
| InChIKey | QNAQLOXJOBIYIF-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HqgKIe3i6j6 |
|---|---|
| Name | Sebacic acid, ethyl neopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-5-20-15(18)12-10-8-6-7-9-11-13-16(19)21-14-17(2,3)4/h5-14H2,1-4H3 |
| InChIKey | QNAQLOXJOBIYIF-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCC(OCC(C)(C)C)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992176 |