| SpectraBase Compound ID | 661ibRInd42 |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-9-11-13-17(14-12-10-6-2,15(18)20-7-3)16(19)21-8-4/h5-14H2,1-4H3 |
| InChIKey | ZACKAFBQSUHPCB-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KxSLfSwFMTr |
|---|---|
| Name | Dipentylmalonic acid, diethyl 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/c1-5-9-11-13-17(14-12-10-6-2,15(18)20-7-3)16(19)21-8-4/h5-14H2,1-4H3 |
| InChIKey | ZACKAFBQSUHPCB-UHFFFAOYSA-N |
| SMILES | CCOC(C(CCCCC)(CCCCC)C(OCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.974624 |