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Erythro-3-(4-chloropheny)-5-(2,2-dimethyl-1,3-dioxalanyl)-.delta.(2)-isoxazoline
SpectraBase Compound ID D7GWjCYZshC
InChI InChI=1S/C14H16ClNO3/c1-14(2)17-8-13(18-14)12-7-11(16-19-12)9-3-5-10(15)6-4-9/h3-6,12-13H,7-8H2,1-2H3/t12?,13-/m1/s1
InChIKey KDXAYITWILXLHX-ZGTCLIOFSA-N
Mol Weight 281.74 g/mol
Molecular Formula C14H16ClNO3
Exact Mass 281.081871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BaO6TuyqOAE
Name Erythro-3-(4-chloropheny)-5-(2,2-dimethyl-1,3-dioxalanyl)-.delta.(2)-isoxazoline
Comments Computed using HOSE algorithm
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Exact Mass 281.081871076 u
Formula C14H16ClNO3
InChI InChI=1S/C14H16ClNO3/c1-14(2)17-8-13(18-14)12-7-11(16-19-12)9-3-5-10(15)6-4-9/h3-6,12-13H,7-8H2,1-2H3/t12?,13-/m1/s1
InChIKey KDXAYITWILXLHX-ZGTCLIOFSA-N
Molecular Weight 281.739 g/mol
SMILES C1(=NOC(C1)[C@@]1(OC(C)(C)OC1)[H])C1=CC=C(C=C1)Cl