| SpectraBase Compound ID | BB6sRxAikCD |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-6-7-14-21-17(19)12-9-13-18(20)22-16(4)11-8-10-15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey | FHQHQVFGYIZDJN-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LJANqA40sjY |
|---|---|
| Name | Glutaric acid, 6-methylhept-2-yl pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-5-6-7-14-21-17(19)12-9-13-18(20)22-16(4)11-8-10-15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey | FHQHQVFGYIZDJN-UHFFFAOYSA-N |
| SMILES | C(OC(CCCC(C)C)C)(=O)CCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832078 |