| SpectraBase Compound ID | 4bnzNpWL1iz |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-20-16(18)12-10-8-6-7-9-11-13-17(19)21-15(4)14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | VGMQBKBWIPYCSS-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 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 | 1eRTQVlTZAv |
|---|---|
| Name | Sebacic acid, ethyl 3-methylbut-2-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-5-20-16(18)12-10-8-6-7-9-11-13-17(19)21-15(4)14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | VGMQBKBWIPYCSS-UHFFFAOYSA-N |
| SMILES | C(CCCCCC(OC(C(C)C)C)=O)CCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990029 |