| SpectraBase Compound ID | C6BGX7RtzAZ |
|---|---|
| InChI | InChI=1S/C13H25NO/c1-5-7-8-10-14(9-6-2)13(15)11-12(3)4/h11H,5-10H2,1-4H3 |
| InChIKey | JLQITQGRZYWUAU-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 | 2zgerAFnA5X |
|---|---|
| Name | but-2-Enoylamide, 3-methyl-N-propyl-N-pentyl- |
| 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/c1-5-7-8-10-14(9-6-2)13(15)11-12(3)4/h11H,5-10H2,1-4H3 |
| InChIKey | JLQITQGRZYWUAU-UHFFFAOYSA-N |
| Molecular Weight | 211.349 g/mol |
| SMILES | C(=O)(N(CCC)CCCCC)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948545 |