| SpectraBase Compound ID | LpJsOsOMdQp |
|---|---|
| InChI | InChI=1S/C18H36O2/c1-4-16-20-18(19)15-13-11-9-7-5-6-8-10-12-14-17(2)3/h17H,4-16H2,1-3H3 |
| InChIKey | BPMDVQAZBJDOCO-UHFFFAOYSA-N |
| Mol Weight | 284.5 g/mol |
| Molecular Formula | C18H36O2 |
| Exact Mass | 284.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6n58hihHyJw |
|---|---|
| Name | N-Propyl 13-methyl-tetradecanoate |
| 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/c1-4-16-20-18(19)15-13-11-9-7-5-6-8-10-12-14-17(2)3/h17H,4-16H2,1-3H3 |
| InChIKey | BPMDVQAZBJDOCO-UHFFFAOYSA-N |
| SMILES | C(C(=O)OCCC)CCCCCCCCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959632 |