SpectraBase Compound ID | CxbEh8gvRRT |
---|---|
InChI | InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3 |
InChIKey | XCXKZBWAKKPFCJ-UHFFFAOYSA-N |
Mol Weight | 240.4 g/mol |
Molecular Formula | C16H32O |
Exact Mass | 240.245316 g/mol |
SpectraBase Spectrum ID | 7KDiLNoN0jk |
---|---|
Name | 2-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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3 |
InChIKey | XCXKZBWAKKPFCJ-UHFFFAOYSA-N |
Molecular Weight | 240.431 g/mol |
SMILES | C(=O)(CCCCCCCCCCCCCC)C |
Spectrum/Structure Validation Score (Raman) | 0.994995 |