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N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-[4-(2-fluorobenzyl)oxyphenyl]tetrazol-2-yl]acetamide
SpectraBase Compound ID EZydRR7dnUJ
InChI InChI=1S/C28H30FN5O4/c1-3-36-25-14-9-20(17-26(25)37-4-2)15-16-30-27(35)18-34-32-28(31-33-34)21-10-12-23(13-11-21)38-19-22-7-5-6-8-24(22)29/h5-14,17H,3-4,15-16,18-19H2,1-2H3,(H,30,35)
InChIKey UOSPLYVECOOSAK-UHFFFAOYSA-N
Mol Weight 519.58 g/mol
Molecular Formula C28H30FN5O4
Exact Mass 519.228183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrujHdsF2Ss
Name N-[2-(3,4-Diethoxyphenyl)ethyl]-2-[5-[4-(2-fluorobenzyl)oxyphenyl]tetrazol-2-yl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 519.228182625 u
Formula C28H30FN5O4
InChI InChI=1S/C28H30FN5O4/c1-3-36-25-14-9-20(17-26(25)37-4-2)15-16-30-27(35)18-34-32-28(31-33-34)21-10-12-23(13-11-21)38-19-22-7-5-6-8-24(22)29/h5-14,17H,3-4,15-16,18-19H2,1-2H3,(H,30,35)
InChIKey UOSPLYVECOOSAK-UHFFFAOYSA-N
Molecular Weight 519.577 g/mol
SMILES C=1C=CC(COC2=CC=C(C=3N=NN(N3)CC(=O)NCCC=3C=C(OCC)C(=CC3)OCC)C=C2)=C(F)C1