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3,4-Dihydro-2-(4'-methoxyphenyl)-5-bromo-4-methyl-2H-pyran-6-carbonitrile
SpectraBase Compound ID 20TJhfU2S7J
InChI InChI=1S/C14H14BrNO2/c1-9-7-12(18-13(8-16)14(9)15)10-3-5-11(17-2)6-4-10/h3-6,9,12H,7H2,1-2H3/t9-,12+/m0/s1
InChIKey GUEGGUURGFCTFS-JOYOIKCWSA-N
Mol Weight 308.18 g/mol
Molecular Formula C14H14BrNO2
Exact Mass 307.020792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iuIHviwqtI
Name 3,4-Dihydro-2-(4'-methoxyphenyl)-5-bromo-4-methyl-2H-pyran-6-carbonitrile
Alternate Name(s) (4S,6R)-3-Bromo-6-(4-methoxy-phenyl)-4-methyl-5,6-dihydro-4H-pyran-2-carbonitrile 5-Bromo-2-(4-methoxyphenyl)-4-methyl-3,4-dihydro-2H-pyran-6-carbonitrile
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Formula C14H14BrNO2
InChI InChI=1S/C14H14BrNO2/c1-9-7-12(18-13(8-16)14(9)15)10-3-5-11(17-2)6-4-10/h3-6,9,12H,7H2,1-2H3/t9-,12+/m0/s1
InChIKey GUEGGUURGFCTFS-JOYOIKCWSA-N
Molecular Weight 308.175 g/mol
SMILES C=1(O[C@@](c2ccc(cc2)OC)(C[C@@](C1Br)(C)[H])[H])C#N
SPLASH splash10-001i-3900000000-9b2748fbcc69f2f0300e
Source of Spectrum H-82-1130-13
Wiley ID 815405