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5-isoxazolecarboxamide, 3-(4-chlorophenyl)-4,5-dihydro-N-(2-thienylmethyl)-
SpectraBase Compound ID 6mJFwnKTh0v
InChI InChI=1S/C15H13ClN2O2S/c16-11-5-3-10(4-6-11)13-8-14(20-18-13)15(19)17-9-12-2-1-7-21-12/h1-7,14H,8-9H2,(H,17,19)
InChIKey MFGNTVXEYLFAQC-UHFFFAOYSA-N
Mol Weight 320.79 g/mol
Molecular Formula C15H13ClN2O2S
Exact Mass 320.038627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F38PotphPoO
Name 5-Isoxazolecarboxamide, 3-(4-chlorophenyl)-4,5-dihydro-N-(2-thienylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 320.038626539 u
Formula C15H13ClN2O2S
InChI InChI=1S/C15H13ClN2O2S/c16-11-5-3-10(4-6-11)13-8-14(20-18-13)15(19)17-9-12-2-1-7-21-12/h1-7,14H,8-9H2,(H,17,19)
InChIKey MFGNTVXEYLFAQC-UHFFFAOYSA-N
Molecular Weight 320.794 g/mol
SMILES N(C(C1ON=C(C1)C=1C=CC(=CC1)Cl)=O)CC=1SC=CC1