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AKJ

Summary
Name:1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
Formula:C16 H20 F2 O4
Formal charge:0
Formula weight:314.324 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
OpenEye OEToolkits2.0.61-[4-[bis(fluoranyl)methoxy]-3-[(3~{S})-oxolan-3-yl]oxy-phenyl]-3-methyl-butan-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(F)(F)Oc2c(OC1COCC1)cc(cc2)C(=O)CC(C)C
InChIInChI1.03InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3/t12-/m0/s1
InChIKeyInChI1.03IXURVUHDDXFYDR-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385CC(C)CC(=O)c1ccc(OC(F)F)c(O[C@H]2CCOC2)c1
SMILESCACTVS3.385CC(C)CC(=O)c1ccc(OC(F)F)c(O[CH]2CCOC2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)CC(=O)c1ccc(c(c1)O[C@H]2CCOC2)OC(F)F
SMILESOpenEye OEToolkits2.0.6CC(C)CC(=O)c1ccc(c(c1)OC2CCOC2)OC(F)F

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건을2024-07-17부터공개중

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