| SpectraBase Compound ID | LV6g7Pxx1z4 |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-13(2)8-7-11-20-16(18)9-6-10-17(19)21-15(5)12-14(3)4/h13-15H,6-12H2,1-5H3 |
| InChIKey | KTMLGZHPLAVXTA-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 | 8KbSIw5L7BP |
|---|---|
| Name | Glutaric acid, isohexyl 4-methylpent-2-yl 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/c1-13(2)8-7-11-20-16(18)9-6-10-17(19)21-15(5)12-14(3)4/h13-15H,6-12H2,1-5H3 |
| InChIKey | KTMLGZHPLAVXTA-UHFFFAOYSA-N |
| SMILES | CC(CC(OC(CCCC(OCCCC(C)C)=O)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855331 |