SpectraBase Compound ID | A4ixiLiXCTC |
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InChI | InChI=1S/C9H19NO/c1-5-9(11)8(4)10(6-2)7-3/h8H,5-7H2,1-4H3 |
InChIKey | SHJAGINDLPCNSP-UHFFFAOYSA-N |
Mol Weight | 157.26 g/mol |
Molecular Formula | C9H19NO |
Exact Mass | 157.146664 g/mol |
SpectraBase Spectrum ID | 7ePR8ORPtR8 |
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Name | 2-(N,N-Diethylamino)-3-pentanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 157.146664235 u |
Formula | C9H19NO |
InChI | InChI=1S/C9H19NO/c1-5-9(11)8(4)10(6-2)7-3/h8H,5-7H2,1-4H3 |
InChIKey | SHJAGINDLPCNSP-UHFFFAOYSA-N |
Molecular Weight | 157.257 g/mol |
SMILES | C(C(=O)CC)(N(CC)CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971828 |