SpectraBase Compound ID | CAATX49X6dR |
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InChI | InChI=1S/C11H21NO/c1-8-9(2)12(11(3,4)5)7-6-10(8)13/h8-9H,6-7H2,1-5H3 |
InChIKey | IIDIYWNNDKQFOZ-UHFFFAOYSA-N |
Mol Weight | 183.29 g/mol |
Molecular Formula | C11H21NO |
Exact Mass | 183.162314 g/mol |
SpectraBase Spectrum ID | FqHsNk59UIQ |
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Name | Piperidin-4-one, 1-tert-butyl-2,3-dimethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 183.162314299 u |
Formula | C11H21NO |
InChI | InChI=1S/C11H21NO/c1-8-9(2)12(11(3,4)5)7-6-10(8)13/h8-9H,6-7H2,1-5H3 |
InChIKey | IIDIYWNNDKQFOZ-UHFFFAOYSA-N |
Molecular Weight | 183.295 g/mol |
SMILES | CC(N1C(C(C)C(CC1)=O)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930609 |