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1-Acetoxy-3-(N-acetylbenzylamino)-2-(p-tolylthio)-propane

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

1-Acetoxy-3-(N-acetylbenzylamino)-2-(p-tolylthio)-propane
SpectraBase Compound ID GdSr8v8lSfM
InChI InChI=1S/C21H25NO3S/c1-16-9-11-20(12-10-16)26-21(15-25-18(3)24)14-22(17(2)23)13-19-7-5-4-6-8-19/h4-12,21H,13-15H2,1-3H3
InChIKey LWFZSGOMHZCNMU-UHFFFAOYSA-N
Mol Weight 371.5 g/mol
Molecular Formula C21H25NO3S
Exact Mass 371.155515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESnATsyVDMj
Name 1-Acetoxy-3-(N-acetylbenzylamino)-2-(p-tolylthio)-propane
Comments Computed using HOSE algorithm
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Exact Mass 371.155514840 u
Formula C21H25NO3S
InChI InChI=1S/C21H25NO3S/c1-16-9-11-20(12-10-16)26-21(15-25-18(3)24)14-22(17(2)23)13-19-7-5-4-6-8-19/h4-12,21H,13-15H2,1-3H3
InChIKey LWFZSGOMHZCNMU-UHFFFAOYSA-N
Molecular Weight 371.495 g/mol
SMILES C(N(CC(SC=1C=CC(=CC1)C)COC(=O)C)CC1=CC=CC=C1)(=O)C