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1-Chloro-9-oxabicyclo[4.4.0]decan-8-one
SpectraBase Compound ID 782wjGHKtyl
InChI InChI=1S/C9H13ClO2/c10-9-4-2-1-3-7(9)5-8(11)12-6-9/h7H,1-6H2
InChIKey KMJRDKDIVCMFKQ-UHFFFAOYSA-N
Mol Weight 188.65 g/mol
Molecular Formula C9H13ClO2
Exact Mass 188.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID u82HXPvlDN
Name 1-Chloro-9-oxabicyclo[4.4.0]decan-8-one
Alternate Name(s) 8a-chlorooctahydro-3H-2-benzopyran-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C9H13ClO2
InChI InChI=1S/C9H13ClO2/c10-9-4-2-1-3-7(9)5-8(11)12-6-9/h7H,1-6H2
InChIKey KMJRDKDIVCMFKQ-UHFFFAOYSA-N
Molecular Weight 188.654 g/mol
SMILES C12(CCCCC2CC(OC1)=O)Cl
SPLASH splash10-014i-0900000000-250f4e2978f7215a912f
Source of Spectrum E1-39-2802-21
Wiley ID 1519098