| SpectraBase Compound ID | KKCaTALr3H3 |
|---|---|
| InChI | InChI=1S/C18H36O2/c1-6-7-8-9-10-11-12-13-20-17(19)14-16(2)15-18(3,4)5/h16H,6-15H2,1-5H3 |
| InChIKey | ZZEAXDKLJQQOJD-UHFFFAOYSA-N |
| Mol Weight | 284.5 g/mol |
| Molecular Formula | C18H36O2 |
| Exact Mass | 284.27153 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 | BwTXDrmYmD8 |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, nonyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.271530397 u |
| Formula | C18H36O2 |
| InChI | InChI=1S/C18H36O2/c1-6-7-8-9-10-11-12-13-20-17(19)14-16(2)15-18(3,4)5/h16H,6-15H2,1-5H3 |
| InChIKey | ZZEAXDKLJQQOJD-UHFFFAOYSA-N |
| SMILES | C(CC(OCCCCCCCCC)=O)(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930634 |