| SpectraBase Compound ID | 3yjlq4y9sre |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-4-6-8-10-14(3)20-16(18)12-9-11-15(17)19-13-7-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | BIRIPYGWMCQEHD-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8nRP5x9XJDb |
|---|---|
| Name | Glutaric acid, butyl 2-heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-4-6-8-10-14(3)20-16(18)12-9-11-15(17)19-13-7-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | BIRIPYGWMCQEHD-UHFFFAOYSA-N |
| SMILES | CC(OC(CCCC(OCCCC)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900628 |