| SpectraBase Compound ID | BeRUdUK9Zi0 |
|---|---|
| InChI | InChI=1S/C11H21NO/c1-3-5-7-8-9-11(13)12-10-6-4-2/h8-9H,3-7,10H2,1-2H3,(H,12,13)/b9-8+ |
| InChIKey | CZVWMAKEMAGYBU-CMDGGOBGSA-N |
| Mol Weight | 183.29 g/mol |
| Molecular Formula | C11H21NO |
| Exact Mass | 183.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I2xjyNLL3Zv |
|---|---|
| Name | Hept-2-enoylamide, N-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.162314299 u |
| Formula | C11H21NO |
| InChI | InChI=1S/C11H21NO/c1-3-5-7-8-9-11(13)12-10-6-4-2/h8-9H,3-7,10H2,1-2H3,(H,12,13)/b9-8+ |
| InChIKey | CZVWMAKEMAGYBU-CMDGGOBGSA-N |
| Molecular Weight | 183.295 g/mol |
| SMILES | C(=O)(NCCCC)\C=C\CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863424 |