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2-[(E)-2-[4-(dimethoxyphosphorylmethyl)phenyl]ethenyl]-1,3-benzoxazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[(E)-2-[4-(dimethoxyphosphorylmethyl)phenyl]ethenyl]-1,3-benzoxazole
SpectraBase Compound ID 8wSDnI87b4K
InChI InChI=1S/C18H18NO4P/c1-21-24(20,22-2)13-15-9-7-14(8-10-15)11-12-18-19-16-5-3-4-6-17(16)23-18/h3-12H,13H2,1-2H3/b12-11+
InChIKey MRYZGUKEIJUTIY-VAWYXSNFSA-N
Mol Weight 343.32 g/mol
Molecular Formula C18H18NO4P
Exact Mass 343.097345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSecXpc9AmP
Name 2-[(E)-2-[4-(Dimethoxyphosphorylmethyl)phenyl]ethenyl]-1,3-benzoxazole
Comments Computed using HOSE algorithm
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Exact Mass 343.097345058 u
Formula C18H18NO4P
InChI InChI=1S/C18H18NO4P/c1-21-24(20,22-2)13-15-9-7-14(8-10-15)11-12-18-19-16-5-3-4-6-17(16)23-18/h3-12H,13H2,1-2H3/b12-11+
InChIKey MRYZGUKEIJUTIY-VAWYXSNFSA-N
Molecular Weight 343.319 g/mol
SMILES C1(=NC=2C(O1)=CC=CC2)\C=C\C=1C=CC(CP(=O)(OC)OC)=CC1