| SpectraBase Compound ID | ATxx5z0evLk |
|---|---|
| InChI | InChI=1S/C13H25NO/c1-4-6-7-8-9-11-14-13(15)12(3)10-5-2/h5,12H,2,4,6-11H2,1,3H3,(H,14,15) |
| InChIKey | GVMHYBSWINSIRP-UHFFFAOYSA-N |
| Mol Weight | 211.35 g/mol |
| Molecular Formula | C13H25NO |
| Exact Mass | 211.193614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 23D3PmbFnat |
|---|---|
| Name | Pent-4-enoyl amide, 2-methyl-N-heptyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.193614428 u |
| Formula | C13H25NO |
| InChI | InChI=1S/C13H25NO/c1-4-6-7-8-9-11-14-13(15)12(3)10-5-2/h5,12H,2,4,6-11H2,1,3H3,(H,14,15) |
| InChIKey | GVMHYBSWINSIRP-UHFFFAOYSA-N |
| Molecular Weight | 211.349 g/mol |
| SMILES | C(=O)(NCCCCCCC)C(CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974093 |