| SpectraBase Compound ID | KMTwVA3HZ9u |
|---|---|
| InChI | InChI=1S/C14H27NO/c1-4-6-7-8-9-10-12-15-14(16)13(3)11-5-2/h5,13H,2,4,6-12H2,1,3H3,(H,15,16) |
| InChIKey | ICFVFAXIDQZXRT-UHFFFAOYSA-N |
| Mol Weight | 225.38 g/mol |
| Molecular Formula | C14H27NO |
| Exact Mass | 225.209264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CjNjfpuWbXH |
|---|---|
| Name | Pent-4-enoyl amide, 2-methyl-N-octyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.209264492 u |
| Formula | C14H27NO |
| InChI | InChI=1S/C14H27NO/c1-4-6-7-8-9-10-12-15-14(16)13(3)11-5-2/h5,13H,2,4,6-12H2,1,3H3,(H,15,16) |
| InChIKey | ICFVFAXIDQZXRT-UHFFFAOYSA-N |
| Molecular Weight | 225.376 g/mol |
| SMILES | C(=O)(NCCCCCCCC)C(CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958629 |