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2-(5-Bromo-2,4-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydrooxazole
SpectraBase Compound ID BsbtqLStv2a
InChI InChI=1S/C13H16BrNO3/c1-13(2)7-18-12(15-13)8-5-9(14)11(17-4)6-10(8)16-3/h5-6H,7H2,1-4H3
InChIKey AODPKTYPSLEMOS-UHFFFAOYSA-N
Mol Weight 314.18 g/mol
Molecular Formula C13H16BrNO3
Exact Mass 313.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GANL4L4IAsm
Name 2-(5-Bromo-2,4-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydrooxazole
Appearance White solid
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Exact Mass 313.031356376 u
Formula C13H16BrNO3
InChI InChI=1S/C13H16BrNO3/c1-13(2)7-18-12(15-13)8-5-9(14)11(17-4)6-10(8)16-3/h5-6H,7H2,1-4H3
InChIKey AODPKTYPSLEMOS-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103700
Molecular Weight 314.179 g/mol
Quality 57
Reported Formula C13H16BrNO3
SMILES C1=C(C(=CC(=C1Br)OC)OC)C=1OCC(N1)(C)C
SPLASH splash10-01oy-0390000000-5e3912287745dfb5823c
Source of Spectrum QE-28-SM19-7c (DOI: 10.1002/chem.202103700)
Wiley ID 1898255