SpectraBase Compound ID | 4yQLxGcDrXN |
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InChI | InChI=1S/C10H15NO2/c12-8-3-1-5-10(7-8)6-2-4-9(13)11-10/h1-7H2,(H,11,13) |
InChIKey | RUMOWHVGPDSMMS-UHFFFAOYSA-N |
Mol Weight | 181.23 g/mol |
Molecular Formula | C10H15NO2 |
Exact Mass | 181.110279 g/mol |
SpectraBase Spectrum ID | x7TlNVTQvM |
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Name | Spiro[cyclohexanone-3,6'-hexahydropyridin-2-one] |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 181.110278725 u |
Formula | C10H15NO2 |
InChI | InChI=1S/C10H15NO2/c12-8-3-1-5-10(7-8)6-2-4-9(13)11-10/h1-7H2,(H,11,13) |
InChIKey | RUMOWHVGPDSMMS-UHFFFAOYSA-N |
Molecular Weight | 181.235 g/mol |
SMILES | C1CCC2(CC1=O)NC(CCC2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928009 |