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(E)-(2S*,5R*)-Dimethyl [5-[benzyl(diphenylmethyl)amino]hex-3-en-2-yl]malonate
SpectraBase Compound ID 1kReQrjlx7o
InChI InChI=1S/C31H35NO4/c1-23(28(30(33)35-3)31(34)36-4)20-21-24(2)32(22-25-14-8-5-9-15-25)29(26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-21,23-24,28-29H,22H2,1-4H3/b21-20+/t23-,24+/m0/s1
InChIKey WBYBFCFMHYQWTG-UVAUYHEJSA-N
Mol Weight 485.6 g/mol
Molecular Formula C31H35NO4
Exact Mass 485.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D42IKZRnLQB
Name (E)-(2S*,5R*)-Dimethyl [5-[benzyl(diphenylmethyl)amino]hex-3-en-2-yl]malonate
Alternate Name(s) Dimethyl 2-{(1S,2E,4R)-4-[benzhydryl(benzyl)amino]-1-methyl-2-pentenyl}malonate
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Formula C31H35NO4
InChI InChI=1S/C31H35NO4/c1-23(28(30(33)35-3)31(34)36-4)20-21-24(2)32(22-25-14-8-5-9-15-25)29(26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-21,23-24,28-29H,22H2,1-4H3/b21-20+/t23-,24+/m0/s1
InChIKey WBYBFCFMHYQWTG-UVAUYHEJSA-N
Molecular Weight 485.624 g/mol
SMILES C(N(Cc1ccccc1)[C@@](\C=C\[C@@](C(C(=O)OC)C(=O)OC)(C)[H])(C)[H])(c1ccccc1)c1ccccc1
SPLASH splash10-014i-0900000000-bb84fac4458b8192d6c1
Source of Spectrum C-120-6670-35
Wiley ID 761043