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3-[(4-tert-butylphenoxy)methyl]-N-(4-methoxybenzyl)benzamide
SpectraBase Compound ID 71pm0d4NqNS
InChI InChI=1S/C26H29NO3/c1-26(2,3)22-10-14-24(15-11-22)30-18-20-6-5-7-21(16-20)25(28)27-17-19-8-12-23(29-4)13-9-19/h5-16H,17-18H2,1-4H3,(H,27,28)
InChIKey PQTDMZKJMNDTQQ-UHFFFAOYSA-N
Mol Weight 403.52 g/mol
Molecular Formula C26H29NO3
Exact Mass 403.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Qw3ZseDNsr
Name 3-[(4-Tert-butylphenoxy)methyl]-N-(4-methoxybenzyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 403.214743795 u
Formula C26H29NO3
InChI InChI=1S/C26H29NO3/c1-26(2,3)22-10-14-24(15-11-22)30-18-20-6-5-7-21(16-20)25(28)27-17-19-8-12-23(29-4)13-9-19/h5-16H,17-18H2,1-4H3,(H,27,28)
InChIKey PQTDMZKJMNDTQQ-UHFFFAOYSA-N
Molecular Weight 403.522 g/mol
SMILES N(C(C=1C=C(COC=2C=CC(C(C)(C)C)=CC2)C=CC1)=O)CC=1C=CC(=CC1)OC