| SpectraBase Compound ID | 6OUyG7kHjTr |
|---|---|
| InChI | InChI=1S/C9H17NO/c1-5-10(6-2)9(11)7-8(3)4/h7H,5-6H2,1-4H3 |
| InChIKey | KACXCDMMVNOZMW-UHFFFAOYSA-N |
| Mol Weight | 155.24 g/mol |
| Molecular Formula | C9H17NO |
| Exact Mass | 155.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H5tmqYJ8ENR |
|---|---|
| Name | 3-Methyl-crotonic-acid-diethylamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.131014170 u |
| Formula | C9H17NO |
| InChI | InChI=1S/C9H17NO/c1-5-10(6-2)9(11)7-8(3)4/h7H,5-6H2,1-4H3 |
| InChIKey | KACXCDMMVNOZMW-UHFFFAOYSA-N |
| Molecular Weight | 155.241 g/mol |
| SMILES | C(=O)(C=C(C)C)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936589 |