SpectraBase Compound ID | Js5QdsWNbe3 |
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InChI | InChI=1S/C16H32O/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2/h3-15H2,1-2H3 |
InChIKey | GASJOQPNNSMIFF-UHFFFAOYSA-N |
Mol Weight | 240.4 g/mol |
Molecular Formula | C16H32O |
Exact Mass | 240.245316 g/mol |
SpectraBase Spectrum ID | AJ8Rw8RqyAi |
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Name | 5-Hexadecanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 240.245315649 u |
Formula | C16H32O |
InChI | InChI=1S/C16H32O/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2/h3-15H2,1-2H3 |
InChIKey | GASJOQPNNSMIFF-UHFFFAOYSA-N |
Molecular Weight | 240.431 g/mol |
SMILES | CCCCCCCCCCCC(CCCC)=O |
Spectrum/Structure Validation Score (Raman) | 0.993906 |