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Methyl 1-[(2'-aminoacetyl)benzylamino)methyl]-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate
SpectraBase Compound ID 2np1zsuuP8Y
InChI InChI=1S/C26H32N2O3/c1-19-14-23(22-12-8-5-9-13-22)26(15-20(19)2,25(30)31-3)18-28(24(29)16-27)17-21-10-6-4-7-11-21/h4-13,23H,14-18,27H2,1-3H3/t23-,26-/m0/s1
InChIKey KHNUIFPTCSJRGW-OZXSUGGESA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H32N2O3
Exact Mass 420.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hxu8iKQSGrY
Name Methyl 1-[(2'-aminoacetyl)benzylamino)methyl]-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate
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Formula C26H32N2O3
InChI InChI=1S/C26H32N2O3/c1-19-14-23(22-12-8-5-9-13-22)26(15-20(19)2,25(30)31-3)18-28(24(29)16-27)17-21-10-6-4-7-11-21/h4-13,23H,14-18,27H2,1-3H3/t23-,26-/m0/s1
InChIKey KHNUIFPTCSJRGW-OZXSUGGESA-N
Molecular Weight 420.553 g/mol
SMILES NCC(N(C[C@@]1([C@@](CC(=C(C1)C)C)(c1ccccc1)[H])C(=O)OC)Cc1ccccc1)=O
SPLASH splash10-0006-9006400000-c01c8a5daa5987dfb32b
Source of Spectrum H-2005-913-10
Synonyms (1R,6S)-1-[[(2-amino-1-oxoethyl)-(phenylmethyl)amino]methyl]-3,4-dimethyl-6-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester Methyl (1R,6S)-1-[[(2-aminoacetyl)-benzylamino]methyl]-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate Methyl (1R,6S)-1-[[(2-aminoacetyl)-benzyl-amino]methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate Methyl (1R,6S)-1-[[2-azanylethanoyl-(phenylmethyl)amino]methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate
Wiley ID 1562408