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6-Chloroisochroman-1-one
SpectraBase Compound ID DJYEvDOaSzr
InChI InChI=1S/C9H7ClO2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-2,5H,3-4H2
InChIKey BQFGQTIXTMRWHI-UHFFFAOYSA-N
Mol Weight 182.61 g/mol
Molecular Formula C9H7ClO2
Exact Mass 182.013457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClCo7WGV1ev
Name 6-Chloroisochroman-1-one
Alternate Name(s) 6-Chloro-3,4-dihydro-1H-2-benzopyran-1-one 6-Chloro-3,4-dihydroisochromen-1-one
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Formula C9H7ClO2
InChI InChI=1S/C9H7ClO2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-2,5H,3-4H2
InChIKey BQFGQTIXTMRWHI-UHFFFAOYSA-N
Molecular Weight 182.606 g/mol
SMILES C1(c2c(cc(cc2)Cl)CCO1)=O
SPLASH splash10-0fc0-1900000000-163a8b96135f264e22e4
Source of Spectrum U1-2009-2530-5c
Wiley ID 1663078