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(1R,4S)-(Z)-Dimethyl [4-[benzyl(diphenylmethyl)amino]cyclohept-2-en-1-yl]malonate
SpectraBase Compound ID kOWpUr4nro
InChI InChI=1S/C32H35NO4/c1-36-31(34)29(32(35)37-2)25-19-12-20-28(22-21-25)33(23-24-13-6-3-7-14-24)30(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,21-22,25,28-30H,12,19-20,23H2,1-2H3/t25-,28+/m1/s1
InChIKey WYEXLLXZUMMJGT-NAKRPHOHSA-N
Mol Weight 497.6 g/mol
Molecular Formula C32H35NO4
Exact Mass 497.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Rdyn7rjhVv
Name (1R,4S)-(Z)-Dimethyl [4-[benzyl(diphenylmethyl)amino]cyclohept-2-en-1-yl]malonate
Alternate Name(s) (Z)-Dimethyl[4-[benzyl(diphenylmethyl)amino]cyclohept-2-en-1-yl]malonate Dimethyl 2-{(1R,4S)-4-[benzhydryl(benzyl)amino]-2-cyclohepten-1-yl}malonate
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Formula C32H35NO4
InChI InChI=1S/C32H35NO4/c1-36-31(34)29(32(35)37-2)25-19-12-20-28(22-21-25)33(23-24-13-6-3-7-14-24)30(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,21-22,25,28-30H,12,19-20,23H2,1-2H3/t25-,28+/m1/s1
InChIKey WYEXLLXZUMMJGT-NAKRPHOHSA-N
Molecular Weight 497.635 g/mol
SMILES C(N([C@@]1(C=C[C@](C(C(=O)OC)C(=O)OC)(CCC1)[H])[H])Cc1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-014i-0900300000-4bcd324cd9ceb47bee30
Source of Spectrum C-120-6669-23
Wiley ID 761051