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(E)-[(2S)-2-(benzylthio)-4-phenyl-butylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine

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(E)-[(2S)-2-(benzylthio)-4-phenyl-butylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine
SpectraBase Compound ID 6XkYhT5TVja
InChI InChI=1S/C23H30N2OS/c1-26-18-22-13-8-16-25(22)24-17-23(15-14-20-9-4-2-5-10-20)27-19-21-11-6-3-7-12-21/h2-7,9-12,17,22-23H,8,13-16,18-19H2,1H3/b24-17+/t22-,23-/m0/s1
InChIKey OLBIMJKNLPWEQV-NMHVKZKSSA-N
Mol Weight 382.57 g/mol
Molecular Formula C23H30N2OS
Exact Mass 382.207885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXCxG9SujEF
Name (E)-[(2S)-2-(benzylthio)-4-phenyl-butylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine
Comments Computed using HOSE algorithm
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Exact Mass 382.207884767 u
Formula C23H30N2OS
InChI InChI=1S/C23H30N2OS/c1-26-18-22-13-8-16-25(22)24-17-23(15-14-20-9-4-2-5-10-20)27-19-21-11-6-3-7-12-21/h2-7,9-12,17,22-23H,8,13-16,18-19H2,1H3/b24-17+/t22-,23-/m0/s1
InChIKey OLBIMJKNLPWEQV-NMHVKZKSSA-N
Molecular Weight 382.566 g/mol
SMILES [C@@](\C=N\N1[C@](COC)(CCC1)[H])(SCC=1C=CC=CC1)(CCC1=CC=CC=C1)[H]