| SpectraBase Compound ID | 30TtlVjesWN |
|---|---|
| InChI | InChI=1S/C9H15NO3/c1-7(2)5-8(11)6-9(3,4)10(12)13/h5H,6H2,1-4H3 |
| InChIKey | IUOGIKAEBUJVDN-UHFFFAOYSA-N |
| Mol Weight | 185.22 g/mol |
| Molecular Formula | C9H15NO3 |
| Exact Mass | 185.105193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H2ZWgEK3Z0e |
|---|---|
| Name | 2,6-Dimethyl-6-nitro-2-hepten-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.105193344 u |
| Formula | C9H15NO3 |
| InChI | InChI=1S/C9H15NO3/c1-7(2)5-8(11)6-9(3,4)10(12)13/h5H,6H2,1-4H3 |
| InChIKey | IUOGIKAEBUJVDN-UHFFFAOYSA-N |
| Molecular Weight | 185.223 g/mol |
| SMILES | CC(C)=CC(=O)CC(N(=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917326 |