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(S)-(4S,5S)-4-Methoxymethyl-5-phenyl-2-{(Z)-[2-(N-1-phenylethylamino)-2-phenyl]ethenyl}-2-oxazoline
SpectraBase Compound ID 2pIslbY7BP7
InChI InChI=1S/C27H28N2O2/c1-20(21-12-6-3-7-13-21)28-24(22-14-8-4-9-15-22)18-26-29-25(19-30-2)27(31-26)23-16-10-5-11-17-23/h3-18,20,25,27-28H,19H2,1-2H3/b24-18-/t20?,25-,27-/m0/s1
InChIKey VAUPOJCSNCOXDG-NJHXPSDNSA-N
Mol Weight 412.53 g/mol
Molecular Formula C27H28N2O2
Exact Mass 412.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JSHYgl2W0F
Name (S)-(4S,5S)-4-Methoxymethyl-5-phenyl-2-{(Z)-[2-(N-1-phenylethylamino)-2-phenyl]ethenyl}-2-oxazoline
Alternate Name(s) (Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenyl-N-(1-phenylethyl)ethenamine N-{(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenyl}-N-(1-phenylethyl)amine
Comments Less than 3 mono-isotopic peaks
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Formula C27H28N2O2
InChI InChI=1S/C27H28N2O2/c1-20(21-12-6-3-7-13-21)28-24(22-14-8-4-9-15-22)18-26-29-25(19-30-2)27(31-26)23-16-10-5-11-17-23/h3-18,20,25,27-28H,19H2,1-2H3/b24-18-/t20?,25-,27-/m0/s1
InChIKey VAUPOJCSNCOXDG-NJHXPSDNSA-N
Molecular Weight 412.533 g/mol
SMILES N(\C(=C/C1=N[C@@](COC)([C@@](O1)(c1ccccc1)[H])[H])c1ccccc1)C(c1ccccc1)C
SPLASH splash10-014i-0009100000-3255ec832330e9164f8d
Source of Spectrum J-61-8857-1
Wiley ID 1374641