| SpectraBase Compound ID | JbCmImIH8x2 |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-8-13-20-16(18)11-9-12-17(19)21-15(7-3)14(4)10-6-2/h14-15H,5-13H2,1-4H3 |
| InChIKey | RVGYDXHQZSVTPG-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 | IMywagaTtVZ |
|---|---|
| Name | Glutaric acid, butyl 4-methylhept-3-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/c1-5-8-13-20-16(18)11-9-12-17(19)21-15(7-3)14(4)10-6-2/h14-15H,5-13H2,1-4H3 |
| InChIKey | RVGYDXHQZSVTPG-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)CCC)CC)(=O)CCCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845649 |