| SpectraBase Compound ID | 9bk9M43u1Ck |
|---|---|
| InChI | InChI=1S/C7H13NO/c1-4-7(8-3)5-6(2)9/h5,8H,4H2,1-3H3/b7-5- |
| InChIKey | NPUWOSUMTIUJKS-ALCCZGGFSA-N |
| Mol Weight | 127.19 g/mol |
| Molecular Formula | C7H13NO |
| Exact Mass | 127.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BQeRCidvmQ5 |
|---|---|
| Name | 4-(N-Methylamino)hex-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.099714042 u |
| Formula | C7H13NO |
| InChI | InChI=1S/C7H13NO/c1-4-7(8-3)5-6(2)9/h5,8H,4H2,1-3H3/b7-5- |
| InChIKey | NPUWOSUMTIUJKS-ALCCZGGFSA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | CN\C(=C/C(=O)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801808 |