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Methyl 1-{[benzyl-(2'-(9H-fluoren-9"-ylmethoxy)carbonyl]aminoacetyl]aminomethyl]-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate
SpectraBase Compound ID L5hJvWbJ91T
InChI InChI=1S/C41H42N2O5/c1-28-22-37(31-16-8-5-9-17-31)41(23-29(28)2,39(45)47-3)27-43(25-30-14-6-4-7-15-30)38(44)24-42-40(46)48-26-36-34-20-12-10-18-32(34)33-19-11-13-21-35(33)36/h4-21,36-37H,22-27H2,1-3H3,(H,42,46)/t37-,41-/m0/s1
InChIKey TUUPFDYDUZEQGR-IOPIWRGFSA-N
Mol Weight 642.8 g/mol
Molecular Formula C41H42N2O5
Exact Mass 642.309372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhflaXgDTTm
Name Methyl 1-{[benzyl-(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]-(phenylmethyl)amino]methyl]-3,4-dimethyl-6-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester Methyl (1R,6S)-1-[[benzyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate Methyl (1R,6S)-1-[[benzyl-[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)ethanoyl-(phenylmethyl)amino]methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate
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Formula C41H42N2O5
InChI InChI=1S/C41H42N2O5/c1-28-22-37(31-16-8-5-9-17-31)41(23-29(28)2,39(45)47-3)27-43(25-30-14-6-4-7-15-30)38(44)24-42-40(46)48-26-36-34-20-12-10-18-32(34)33-19-11-13-21-35(33)36/h4-21,36-37H,22-27H2,1-3H3,(H,42,46)/t37-,41-/m0/s1
InChIKey TUUPFDYDUZEQGR-IOPIWRGFSA-N
Molecular Weight 642.796 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)CC(N(C[C@@]1([C@@](CC(=C(C1)C)C)(c1ccccc1)[H])C(=O)OC)Cc1ccccc1)=O
SPLASH splash10-0006-9004000000-c45ca6d6e042b1cb5da5
Source of Spectrum H-2005-912-9
Wiley ID 1562409