SpectraBase Compound ID | JRvIY7MCIBO |
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InChI | InChI=1S/C9H15NO/c1-3-9-4-6-10(7-5-9)8(2)11/h3H,4-7H2,1-2H3 |
InChIKey | KVNHCYFYAOTERL-UHFFFAOYSA-N |
Mol Weight | 153.22 g/mol |
Molecular Formula | C9H15NO |
Exact Mass | 153.115364 g/mol |
SpectraBase Spectrum ID | AkzQDua4Q7q |
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Name | 1-(4-Ethylidene-1-piperidinyl)ethanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 153.115364106 u |
Formula | C9H15NO |
InChI | InChI=1S/C9H15NO/c1-3-9-4-6-10(7-5-9)8(2)11/h3H,4-7H2,1-2H3 |
InChIKey | KVNHCYFYAOTERL-UHFFFAOYSA-N |
Molecular Weight | 153.225 g/mol |
SMILES | C(N1CCC(CC1)=CC)(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974515 |