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N-(4-sec-butylphenyl)-4-[(4-isopropylphenoxy)methyl]benzamide

View entire compound with spectra: 2 NMR

N-(4-sec-butylphenyl)-4-[(4-isopropylphenoxy)methyl]benzamide
SpectraBase Compound ID BfTrMtsrbGd
InChI InChI=1S/C27H31NO2/c1-5-20(4)23-10-14-25(15-11-23)28-27(29)24-8-6-21(7-9-24)18-30-26-16-12-22(13-17-26)19(2)3/h6-17,19-20H,5,18H2,1-4H3,(H,28,29)
InChIKey BSHNZQUUQIYTLH-UHFFFAOYSA-N
Mol Weight 401.55 g/mol
Molecular Formula C27H31NO2
Exact Mass 401.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xp3MUNOaJV
Name N-(4-sec-Butylphenyl)-4-[(4-isopropylphenoxy)methyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 401.235479240 u
Formula C27H31NO2
InChI InChI=1S/C27H31NO2/c1-5-20(4)23-10-14-25(15-11-23)28-27(29)24-8-6-21(7-9-24)18-30-26-16-12-22(13-17-26)19(2)3/h6-17,19-20H,5,18H2,1-4H3,(H,28,29)
InChIKey BSHNZQUUQIYTLH-UHFFFAOYSA-N
Molecular Weight 401.550 g/mol
SMILES N(C=1C=CC(=CC1)C(CC)C)C(C=1C=CC(=CC1)COC=1C=CC(=CC1)C(C)C)=O