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5-Benzoxazolecarboxylic acid, 2-phenyl-, ethyl ester
SpectraBase Compound ID L2Yplir2T6Y
InChI InChI=1S/C16H13NO3/c1-2-19-16(18)12-8-9-14-13(10-12)17-15(20-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKey TWXCYSPTEXWKHU-UHFFFAOYSA-N
Mol Weight 267.28 g/mol
Molecular Formula C16H13NO3
Exact Mass 267.089543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H37A3VB7xs8
Name 5-Benzoxazolecarboxylic acid, 2-phenyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 267.089543280 u
Formula C16H13NO3
InChI InChI=1S/C16H13NO3/c1-2-19-16(18)12-8-9-14-13(10-12)17-15(20-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKey TWXCYSPTEXWKHU-UHFFFAOYSA-N
Molecular Weight 267.284 g/mol
SMILES CCOC(=O)C1=CC=C2C(=C1)N=C(O2)C1=CC=CC=C1