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2-(4-(Cyclopropylmethoxy)-3-(difluoromethoxy)phenyl)-5,5-dimethyl-1,3,2-dioxa borinane
SpectraBase Compound ID 2mHvFJVKWMy
InChI InChI=1S/C16H21BF2O4/c1-16(2)9-21-17(22-10-16)12-5-6-13(20-8-11-3-4-11)14(7-12)23-15(18)19/h5-7,11,15H,3-4,8-10H2,1-2H3
InChIKey CNJAZQMKAGLAQO-UHFFFAOYSA-N
Mol Weight 326.1 g/mol
Molecular Formula C16H21BF2O4
Exact Mass 326.150096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsRFbbCfybi
Name 2-(4-(Cyclopropylmethoxy)-3-(difluoromethoxy)phenyl)-5,5-dimethyl-1,3,2-dioxa borinane
Appearance White solid
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Exact Mass 326.150095648 u
Formula C16H21BF2O4
InChI InChI=1S/C16H21BF2O4/c1-16(2)9-21-17(22-10-16)12-5-6-13(20-8-11-3-4-11)14(7-12)23-15(18)19/h5-7,11,15H,3-4,8-10H2,1-2H3
InChIKey CNJAZQMKAGLAQO-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5973N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201603068
Molecular Weight 326.147 g/mol
Quality 113
SMILES C1(=CC(=CC=C1OCC1CC1)B1OCC(CO1)(C)C)OC(F)F
SPLASH splash10-1029-2493000000-50c3d93bbd1df2475174
Source of Spectrum ACI-55-SM20-3ma (DOI: 10.1002/anie.201603068)
Wiley ID 1901002