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3-Phenyl-5-(1-ethyl)pentyl-1,2,4-oxadiazole
SpectraBase Compound ID y8faFM9NLJ
InChI InChI=1S/C15H20N2O/c1-3-5-9-12(4-2)15-16-14(17-18-15)13-10-7-6-8-11-13/h6-8,10-12H,3-5,9H2,1-2H3
InChIKey BDFHYZRIKOPKLG-UHFFFAOYSA-N
Mol Weight 244.34 g/mol
Molecular Formula C15H20N2O
Exact Mass 244.157563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSkhAuPQahg
Name 3-Phenyl-5-(1-ethyl)pentyl-1,2,4-oxadiazole
Comments Computed using HOSE algorithm
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Exact Mass 244.157563271 u
Formula C15H20N2O
InChI InChI=1S/C15H20N2O/c1-3-5-9-12(4-2)15-16-14(17-18-15)13-10-7-6-8-11-13/h6-8,10-12H,3-5,9H2,1-2H3
InChIKey BDFHYZRIKOPKLG-UHFFFAOYSA-N
Molecular Weight 244.338 g/mol
SMILES C=1(N=C(ON1)C(CC)CCCC)C=1C=CC=CC1