3-[(1E)-2-ethyl-1-octenyl]cyclohexanone

SpectraBase Compound ID	8lPHcRAKK7o
InChI	InChI=1S/C16H28O/c1-3-5-6-7-9-14(4-2)12-15-10-8-11-16(17)13-15/h12,15H,3-11,13H2,1-2H3/b14-12+
InChIKey	BNSRWNHKEXGVGD-WYMLVPIESA-N Google Search
Mol Weight	236.4 g/mol
Molecular Formula	C16H28O
Exact Mass	236.214016 g/mol

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SpectraBase Spectrum ID	92RCbrjpR70
Name	3-[(1E)-2-Ethyl-1-octenyl]cyclohexanone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	236.214015521 u
Formula	C16H28O
InChI	InChI=1S/C16H28O/c1-3-5-6-7-9-14(4-2)12-15-10-8-11-16(17)13-15/h12,15H,3-11,13H2,1-2H3/b14-12+
InChIKey	BNSRWNHKEXGVGD-WYMLVPIESA-N
Molecular Weight	236.399 g/mol
SMILES	C(\C(=C/C1CC(=O)CCC1)CCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.9648