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(M,1"S)-1-(2'-Hydroxy-4',6'-dimethylphenyl)-2-naphthoic acid 1"-phenylethylamide
SpectraBase Compound ID Kxtrbv1W4fk
InChI InChI=1S/C27H25NO2/c1-17-15-18(2)25(24(29)16-17)26-22-12-8-7-11-21(22)13-14-23(26)27(30)28-19(3)20-9-5-4-6-10-20/h4-16,19,29H,1-3H3,(H,28,30)/t19-/m0/s1
InChIKey PTRJINOIXTWIIL-IBGZPJMESA-N
Mol Weight 395.5 g/mol
Molecular Formula C27H25NO2
Exact Mass 395.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TfSzec2Vu8
Name (m,1''S)-1-(2'-Hydroxy-4',6'-dimethylphenyl)-2-naphthoic acid 1''-phenylethylamide
Comments Computed using HOSE algorithm
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Exact Mass 395.188529047 u
Formula C27H25NO2
InChI InChI=1S/C27H25NO2/c1-17-15-18(2)25(24(29)16-17)26-22-12-8-7-11-21(22)13-14-23(26)27(30)28-19(3)20-9-5-4-6-10-20/h4-16,19,29H,1-3H3,(H,28,30)/t19-/m0/s1
InChIKey PTRJINOIXTWIIL-IBGZPJMESA-N
Molecular Weight 395.502 g/mol
SMILES C1(C=2C(=CC(=CC2C)C)O)=C(C(N[C@](C=2C=CC=CC2)(C)[H])=O)C=CC=2C1=CC=CC2