| SpectraBase Compound ID | 2E4B7XXz0gF |
|---|---|
| InChI | InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3 |
| InChIKey | LDPLLPONRGVDGK-UHFFFAOYSA-N |
| Mol Weight | 256.4 g/mol |
| Molecular Formula | C16H32O2 |
| Exact Mass | 256.24023 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 | D0ieIv6lqXZ |
|---|---|
| Name | Propanoic acid, 2-methyl-, dodecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.240230268 u |
| Formula | C16H32O2 |
| InChI | InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3 |
| InChIKey | LDPLLPONRGVDGK-UHFFFAOYSA-N |
| Molecular Weight | 256.430 g/mol |
| SMILES | CCCCCCCCCCCCOC(=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936057 |