| SpectraBase Compound ID | H8TEQMbGafR |
|---|---|
| InChI | InChI=1S/C12H23NO/c1-4-6-7-8-10-13-12(14)11(3)9-5-2/h5,11H,2,4,6-10H2,1,3H3,(H,13,14) |
| InChIKey | WNAIEKPRAJRFDM-UHFFFAOYSA-N |
| Mol Weight | 197.32 g/mol |
| Molecular Formula | C12H23NO |
| Exact Mass | 197.177964 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | cVEgC14wVS |
|---|---|
| Name | Pent-4-enoyl amide, 2-methyl-N-hexyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.177964364 u |
| Formula | C12H23NO |
| InChI | InChI=1S/C12H23NO/c1-4-6-7-8-10-13-12(14)11(3)9-5-2/h5,11H,2,4,6-10H2,1,3H3,(H,13,14) |
| InChIKey | WNAIEKPRAJRFDM-UHFFFAOYSA-N |
| Molecular Weight | 197.322 g/mol |
| SMILES | C(=O)(NCCCCCC)C(CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971358 |