| SpectraBase Compound ID | JIOhbrK0uph |
|---|---|
| InChI | InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2 |
| InChIKey | ZZMRPOAHZITKBV-UHFFFAOYSA-N |
| Mol Weight | 111.14 g/mol |
| Molecular Formula | C6H9NO |
| Exact Mass | 111.068414 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | H8xiPRDpljr |
|---|---|
| Name | (E)-3-Aminocyclohex-2-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 111.068413913 u |
| Formula | C6H9NO |
| InChI | InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2 |
| InChIKey | ZZMRPOAHZITKBV-UHFFFAOYSA-N |
| Molecular Weight | 111.144 g/mol |
| SMILES | C1(=O)C=C(CCC1)N |
| Spectrum/Structure Validation Score (Raman) | 0.993684 |