| SpectraBase Compound ID | LFS9E5T3PJb |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-5-14-12(4,9-10-13)8-6-7-11(2)3/h7,10H,5-6,8-9H2,1-4H3 |
| InChIKey | ZHWGYDUBKVGKTP-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 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 | 9TNCQwG00iw |
|---|---|
| Name | Ethoxycitronellal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-5-14-12(4,9-10-13)8-6-7-11(2)3/h7,10H,5-6,8-9H2,1-4H3 |
| InChIKey | ZHWGYDUBKVGKTP-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(C(CC=O)(C)OCC)CC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954114 |