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2-[(Phenylmethyl)-[2-(phenylsulfonyl)ethyl]amino]propan-1-ol
SpectraBase Compound ID AWHZBWLERGT
InChI InChI=1S/C18H23NO3S/c1-16(15-20)19(14-17-8-4-2-5-9-17)12-13-23(21,22)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3
InChIKey RBKBRVIBCMFKMH-UHFFFAOYSA-N
Mol Weight 333.45 g/mol
Molecular Formula C18H23NO3S
Exact Mass 333.139865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVsU2fwvlIp
Name 2-[(Phenylmethyl)-[2-(phenylsulfonyl)ethyl]amino]propan-1-ol
Comments Computed using HOSE algorithm
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Exact Mass 333.139864776 u
Formula C18H23NO3S
InChI InChI=1S/C18H23NO3S/c1-16(15-20)19(14-17-8-4-2-5-9-17)12-13-23(21,22)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3
InChIKey RBKBRVIBCMFKMH-UHFFFAOYSA-N
Molecular Weight 333.446 g/mol
SMILES C(N(CCS(=O)(=O)C=1C=CC=CC1)CC=1C=CC=CC1)(C)CO