SpectraBase Compound ID | JQfbMyOo7he |
---|---|
InChI | InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h6-7H,3-5,8-10H2,1-2H3/b7-6- |
InChIKey | VDAWGQHQGFRCBE-SREVYHEPSA-N |
Mol Weight | 168.28 g/mol |
Molecular Formula | C11H20O |
Exact Mass | 168.151415 g/mol |
SpectraBase Spectrum ID | HYiTbPVChvm |
---|---|
Name | (Z)-Undec-6-en-2-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 168.151415263 u |
Formula | C11H20O |
InChI | InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h6-7H,3-5,8-10H2,1-2H3/b7-6- |
InChIKey | VDAWGQHQGFRCBE-SREVYHEPSA-N |
Molecular Weight | 168.280 g/mol |
SMILES | CC(CCC\C=C/CCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849745 |