| SpectraBase Compound ID | DZq0CD4NmES |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-7-9-12-16(4)22-18(20)14-10-13-17(19)21-15(3)11-8-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | OJEKDTOPJRMNQA-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6aQFZ7Co3Kx |
|---|---|
| Name | Glutaric acid, hept-2-yl 2-hexyl 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/c1-5-7-9-12-16(4)22-18(20)14-10-13-17(19)21-15(3)11-8-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | OJEKDTOPJRMNQA-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC(CCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875626 |