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(4S)-1-Phenyl-2-(N-1'(R)-phenylethyl)amino-4-benzyl-5-methylhex-2-en-1-one
SpectraBase Compound ID CD4m7tjS27V
InChI InChI=1S/C28H31NO/c1-21(2)26(19-23-13-7-4-8-14-23)27(20-28(30)25-17-11-6-12-18-25)29-22(3)24-15-9-5-10-16-24/h4-18,20-22,26,29H,19H2,1-3H3/b27-20-/t22-,26-/m1/s1
InChIKey BPMBKLPEZANJDI-RLXDMTHXSA-N
Mol Weight 397.56 g/mol
Molecular Formula C28H31NO
Exact Mass 397.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CLerLEd867
Name (4S)-1-Phenyl-2-(N-1'(R)-phenylethyl)amino-4-benzyl-5-methylhex-2-en-1-one
Alternate Name(s) (2Z,4S)-4-benzyl-5-methyl-1-phenyl-2-{[(1R)-1-phenylethyl]amino}-2-hexen-1-one (4R)-1-Phenyl-3-(N-1'(R)-phenylethyl)amino-4-benzyl-5-methylhex-2-en-1-one (Z)-(R)-4-Benzyl-5-methyl-1-phenyl-3-((R)-1-phenyl-ethylamino)-hex-2-en-1-one (Z,4R)-5-methyl-1-phenyl-3-[[(1R)-1-phenylethyl]amino]-4-(phenylmethyl)-2-hexen-1-one (Z,4R)-5-methyl-1-phenyl-3-[[(1R)-1-phenylethyl]amino]-4-(phenylmethyl)hex-2-en-1-one
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Formula C28H31NO
InChI InChI=1S/C28H31NO/c1-21(2)26(19-23-13-7-4-8-14-23)27(20-28(30)25-17-11-6-12-18-25)29-22(3)24-15-9-5-10-16-24/h4-18,20-22,26,29H,19H2,1-3H3/b27-20-/t22-,26-/m1/s1
InChIKey BPMBKLPEZANJDI-RLXDMTHXSA-N
Molecular Weight 397.562 g/mol
SMILES N(\C(=C/C(=O)c1ccccc1)[C@](Cc1ccccc1)(C(C)C)[H])[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0a4i-1933000000-9e34a3e7ef1dd71b9a78
Source of Spectrum QC-4-1663-2
Wiley ID 883365