SpectraBase Compound ID | mxCOMLBgR8 |
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InChI | InChI=1S/C9H13NO2/c11-7-6-9(8(12)10-7)4-2-1-3-5-9/h1-6H2,(H,10,11,12) |
InChIKey | BBZBYWMNNPPFKA-UHFFFAOYSA-N |
Mol Weight | 167.21 g/mol |
Molecular Formula | C9H13NO2 |
Exact Mass | 167.094629 g/mol |
SpectraBase Spectrum ID | H8JTPxbGlWZ |
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Name | 2-Azaspiro[4.5]decane-1,3-dione |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 167.094628661 u |
Formula | C9H13NO2 |
InChI | InChI=1S/C9H13NO2/c11-7-6-9(8(12)10-7)4-2-1-3-5-9/h1-6H2,(H,10,11,12) |
InChIKey | BBZBYWMNNPPFKA-UHFFFAOYSA-N |
SMILES | N1C(C2(CC1=O)CCCCC2)=O |
Spectrum/Structure Validation Score (Raman) | 0.910081 |