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Erythro-3-(benzylamino)-1-phenyl-2-tosyl-1-propanol

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Erythro-3-(benzylamino)-1-phenyl-2-tosyl-1-propanol
SpectraBase Compound ID GcFifrnsokU
InChI InChI=1S/C23H25NO3S/c1-18-12-14-21(15-13-18)28(26,27)22(23(25)20-10-6-3-7-11-20)17-24-16-19-8-4-2-5-9-19/h2-15,22-25H,16-17H2,1H3
InChIKey QOMGRKRGKYHNGI-UHFFFAOYSA-N
Mol Weight 395.52 g/mol
Molecular Formula C23H25NO3S
Exact Mass 395.155515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpNqHQx4FSB
Name Erythro-3-(benzylamino)-1-phenyl-2-tosyl-1-propanol
Comments Computed using HOSE algorithm
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Exact Mass 395.155514840 u
Formula C23H25NO3S
InChI InChI=1S/C23H25NO3S/c1-18-12-14-21(15-13-18)28(26,27)22(23(25)20-10-6-3-7-11-20)17-24-16-19-8-4-2-5-9-19/h2-15,22-25H,16-17H2,1H3
InChIKey QOMGRKRGKYHNGI-UHFFFAOYSA-N
Molecular Weight 395.517 g/mol
SMILES C(S(C1=CC=C(C=C1)C)(=O)=O)(C(C=1C=CC=CC1)O)CNCC=1C=CC=CC1