| SpectraBase Compound ID | 5emxuQGPSmo |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-4-6-8-9-12-16(3)22-18(20)14-11-10-13-17(19)21-15-7-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | UOXQGJACOXHMJO-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 | DiO5aqy5G2s |
|---|---|
| Name | Adipic acid, butyl 2-octyl 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/c1-4-6-8-9-12-16(3)22-18(20)14-11-10-13-17(19)21-15-7-5-2/h16H,4-15H2,1-3H3 |
| InChIKey | UOXQGJACOXHMJO-UHFFFAOYSA-N |
| SMILES | C(OC(=O)CCCCC(OCCCC)=O)(CCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890136 |