SpectraBase Compound ID | Kr7p3lY4LOe |
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InChI | InChI=1S/C11H19NO/c1-9(2)8-11(13)12-6-4-10(3)5-7-12/h8,10H,4-7H2,1-3H3 |
InChIKey | RJJRWGWANXWFHY-UHFFFAOYSA-N |
Mol Weight | 181.28 g/mol |
Molecular Formula | C11H19NO |
Exact Mass | 181.146664 g/mol |
SpectraBase Spectrum ID | 4xnJrmlm2kj |
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Name | Piperidine, 4-methyl-1-[3-methyl-1-oxo-2-butenyl]- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 181.146664235 u |
Formula | C11H19NO |
InChI | InChI=1S/C11H19NO/c1-9(2)8-11(13)12-6-4-10(3)5-7-12/h8,10H,4-7H2,1-3H3 |
InChIKey | RJJRWGWANXWFHY-UHFFFAOYSA-N |
Molecular Weight | 181.279 g/mol |
SMILES | C1CC(CCN1C(C=C(C)C)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956722 |