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3-(2-Naphthalen-1-ylethyl)-9-(phenylsulfonyl)carbazole
SpectraBase Compound ID 8EKNZO02Nl3
InChI InChI=1S/C30H23NO2S/c32-34(33,25-12-2-1-3-13-25)31-29-16-7-6-15-27(29)28-21-22(18-20-30(28)31)17-19-24-11-8-10-23-9-4-5-14-26(23)24/h1-16,18,20-21H,17,19H2
InChIKey XPFDBAHGPBARKG-UHFFFAOYSA-N
Mol Weight 461.58 g/mol
Molecular Formula C30H23NO2S
Exact Mass 461.14495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hh09mi6Geye
Name 3-(2-Naphthalen-1-ylethyl)-9-(phenylsulfonyl)carbazole
Comments Computed using HOSE algorithm
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Exact Mass 461.144950157 u
Formula C30H23NO2S
InChI InChI=1S/C30H23NO2S/c32-34(33,25-12-2-1-3-13-25)31-29-16-7-6-15-27(29)28-21-22(18-20-30(28)31)17-19-24-11-8-10-23-9-4-5-14-26(23)24/h1-16,18,20-21H,17,19H2
InChIKey XPFDBAHGPBARKG-UHFFFAOYSA-N
Molecular Weight 461.579 g/mol
SMILES C=1(S(N2C3=C(C=C(C=C3)CCC3=C4C(C=CC=C4)=CC=C3)C3=C2C=CC=C3)(=O)=O)C=CC=CC1