SpectraBase Compound ID | ANKmya0e6KR |
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InChI | InChI=1S/C9H15NO/c1-7-4-3-5-9(10-7)6-8(2)11/h9H,3-6H2,1-2H3/t9-/m1/s1 |
InChIKey | DAKWFMWLKUCUON-SECBINFHSA-N |
Mol Weight | 153.22 g/mol |
Molecular Formula | C9H15NO |
Exact Mass | 153.115364 g/mol |
SpectraBase Spectrum ID | JyISUVOKXmt |
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Name | 1,2-Dehydropinidinone |
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/c1-7-4-3-5-9(10-7)6-8(2)11/h9H,3-6H2,1-2H3/t9-/m1/s1 |
InChIKey | DAKWFMWLKUCUON-SECBINFHSA-N |
Molecular Weight | 153.225 g/mol |
SMILES | [C@@]1(N=C(CCC1)C)(CC(=O)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84381 |