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2-[(1R,4S)-4-(Benzhydryl-benzyl-amino)-cyclohex-2-enyl]-malonic acid dmethyl ester
SpectraBase Compound ID 6ABuwuuhhCy
InChI InChI=1S/C31H33NO4/c1-35-30(33)28(31(34)36-2)24-18-20-27(21-19-24)32(22-23-12-6-3-7-13-23)29(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-18,20,24,27-29H,19,21-22H2,1-2H3/t24-,27+/m0/s1
InChIKey ZNZYIWNTCWEUTI-RPLLCQBOSA-N
Mol Weight 483.6 g/mol
Molecular Formula C31H33NO4
Exact Mass 483.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Li9vJkWpuh2
Name 2-[(1R,4S)-4-(Benzhydryl-benzyl-amino)-cyclohex-2-enyl]-malonic acid dmethyl ester
Alternate Name(s) (Z)-Dimethyl[4-[benzyl(diphenylmethyl)amino]cyclohex-2-en-1-yl]malonate Dimethyl 2-{(1R,4S)-4-[benzhydryl(benzyl)amino]-2-cyclohexen-1-yl}malonate
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Formula C31H33NO4
InChI InChI=1S/C31H33NO4/c1-35-30(33)28(31(34)36-2)24-18-20-27(21-19-24)32(22-23-12-6-3-7-13-23)29(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-18,20,24,27-29H,19,21-22H2,1-2H3/t24-,27+/m0/s1
InChIKey ZNZYIWNTCWEUTI-RPLLCQBOSA-N
Molecular Weight 483.608 g/mol
SMILES C(N([C@@]1(C=C[C@](C(C(=O)OC)C(=O)OC)(CC1)[H])[H])Cc1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-066r-4950100000-1284fa2043b45d4b111b
Source of Spectrum C-120-6669-23
Wiley ID 761052