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1-piperazineacetamide, 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-
SpectraBase Compound ID 2oJUfpVURZb
InChI InChI=1S/C25H27N3O3/c1-30-24-10-6-5-9-23(24)28-17-15-27(16-18-28)19-25(29)26-20-11-13-22(14-12-20)31-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,26,29)
InChIKey JMKLLFHFMQPSIB-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C25H27N3O3
Exact Mass 417.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7pSsN3hpwX
Name 1-Piperazineacetamide, 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 417.205241738 u
Formula C25H27N3O3
InChI InChI=1S/C25H27N3O3/c1-30-24-10-6-5-9-23(24)28-17-15-27(16-18-28)19-25(29)26-20-11-13-22(14-12-20)31-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,26,29)
InChIKey JMKLLFHFMQPSIB-UHFFFAOYSA-N
Molecular Weight 417.509 g/mol
SMILES N(C(CN1CCN(C2=C(OC)C=CC=C2)CC1)=O)C=1C=CC(OC2=CC=CC=C2)=CC1