2-(Chloromethyl)-5-(1'-chlorononylidene)-6-oxo-7-oxabicyclo[3.3.0]octane

SpectraBase Compound ID	HNZBMFcStY0
InChI	InChI=1S/C17H26Cl2O2/c1-2-3-4-5-6-7-8-14(19)16-13-9-12(11-18)10-15(13)21-17(16)20/h12-13,15H,2-11H2,1H3/b16-14-/t12?,13-,15+/m0/s1
InChIKey	KKOLOYVLSUTOOF-XECJRXCZSA-N Google Search
Mol Weight	333.3 g/mol
Molecular Formula	C17H26Cl2O2
Exact Mass	332.130985 g/mol

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SpectraBase Spectrum ID	IvbNxk6248x
Name	2-(Chloromethyl)-5-(1'-chlorononylidene)-6-oxo-7-oxabicyclo[3.3.0]octane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	332.130985475 u
Formula	C17H26Cl2O2
InChI	InChI=1S/C17H26Cl2O2/c1-2-3-4-5-6-7-8-14(19)16-13-9-12(11-18)10-15(13)21-17(16)20/h12-13,15H,2-11H2,1H3/b16-14-/t12?,13-,15+/m0/s1
InChIKey	KKOLOYVLSUTOOF-XECJRXCZSA-N
Molecular Weight	333.299 g/mol
SMILES	C1(\C([C@@]2([C@](O1)(CC(C2)CCl)[H])[H])=C\(Cl)CCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.880731