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3-Bromo-2,3,4,6,7,8-hexahydro-1-benzopyran-5(5H)-one
SpectraBase Compound ID 4i8bcyZLpcV
InChI InChI=1S/C9H11BrO2/c10-6-4-7-8(11)2-1-3-9(7)12-5-6/h6H,1-5H2
InChIKey XLQRDDNGCRHEOX-UHFFFAOYSA-N
Mol Weight 231.09 g/mol
Molecular Formula C9H11BrO2
Exact Mass 229.994243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVFUVbrDguk
Name 3-Bromo-2,3,4,6,7,8-hexahydro-1-benzopyran-5(5H)-one
Alternate Name(s) 3-Bromo-3,4,7,8-tetrahydro-2H-chromen-5(6H)-one 3-Bromo-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one 3-Bromanyl-2,3,4,6,7,8-hexahydrochromen-5-one
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Formula C9H11BrO2
InChI InChI=1S/C9H11BrO2/c10-6-4-7-8(11)2-1-3-9(7)12-5-6/h6H,1-5H2
InChIKey XLQRDDNGCRHEOX-UHFFFAOYSA-N
Molecular Weight 231.089 g/mol
SMILES C12=C(OCC(C2)Br)CCCC1=O
SPLASH splash10-0far-7930000000-682350ec67e5552f2e36
Source of Spectrum F5-3-2473-5a
Wiley ID 1732386