3-[((Tetrahydropyran-2'-yl)oxy)methyl]cyclohexan-1-one

SpectraBase Compound ID	BCRuCTbFIEm
InChI	InChI=1S/C12H20O3/c13-11-5-3-4-10(8-11)9-15-12-6-1-2-7-14-12/h10,12H,1-9H2
InChIKey	XJEACEFBMVTQGY-UHFFFAOYSA-N Google Search
Mol Weight	212.29 g/mol
Molecular Formula	C12H20O3
Exact Mass	212.141245 g/mol

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SpectraBase Spectrum ID	95ewrBTAooa
Name	3-[((tetrahydropyran-2'-yl)oxy)methyl]cyclohexan-1-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	212.141244501 u
Formula	C12H20O3
InChI	InChI=1S/C12H20O3/c13-11-5-3-4-10(8-11)9-15-12-6-1-2-7-14-12/h10,12H,1-9H2
InChIKey	XJEACEFBMVTQGY-UHFFFAOYSA-N
Molecular Weight	212.289 g/mol
SMILES	C1(OCCCC1)OCC1CC(=O)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.963116