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Methyl 1-{2'-[(9H-fluoren-9''-ylmethoxy)carbonyl]aminoacetyl}aminomethyl}-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate
SpectraBase Compound ID C02jxViKINX
InChI InChI=1S/C34H36N2O5/c1-22-17-30(24-11-5-4-6-12-24)34(18-23(22)2,32(38)40-3)21-36-31(37)19-35-33(39)41-20-29-27-15-9-7-13-25(27)26-14-8-10-16-28(26)29/h4-16,29-30H,17-21H2,1-3H3,(H,35,39)(H,36,37)/t30-,34-/m0/s1
InChIKey ONRJQNXSKFNBOM-NHZFLZHXSA-N
Mol Weight 552.7 g/mol
Molecular Formula C34H36N2O5
Exact Mass 552.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8Y26BocNOm
Name Methyl 1-{2'-[(9H-fluoren-9''-ylmethoxy)carbonyl]aminoacetyl}aminomethyl}-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate
Alternate Name(s) (1R,6S)-1-[[[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxoethyl]amino]methyl]-3,4-dimethyl-6-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester Methyl (1R,6S)-1-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate Methyl (1R,6S)-1-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate Methyl (1R,6S)-1-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoylamino]methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate
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Formula C34H36N2O5
InChI InChI=1S/C34H36N2O5/c1-22-17-30(24-11-5-4-6-12-24)34(18-23(22)2,32(38)40-3)21-36-31(37)19-35-33(39)41-20-29-27-15-9-7-13-25(27)26-14-8-10-16-28(26)29/h4-16,29-30H,17-21H2,1-3H3,(H,35,39)(H,36,37)/t30-,34-/m0/s1
InChIKey ONRJQNXSKFNBOM-NHZFLZHXSA-N
Molecular Weight 552.671 g/mol
SMILES N(C(CNC(OCC1c2c(cccc2)-c2c1cccc2)=O)=O)C[C@@]1([C@@](CC(=C(C1)C)C)(c1ccccc1)[H])C(=O)OC
SPLASH splash10-004i-0902000000-9ccb4a4f162600980e50
Source of Spectrum H-2005-911-4
Wiley ID 1562412