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(1R,2S)-Methyl 2-[((1'S,3'R)-1',2',3',4'-tetrahydro-3'-methyl-.beta.-carbolin-1'-yl)methyl]-cyclohexane-1-carboxylate
SpectraBase Compound ID AdQ7fwVzgHw
InChI InChI=1S/C21H28N2O2/c1-13-11-17-16-9-5-6-10-18(16)23-20(17)19(22-13)12-14-7-3-4-8-15(14)21(24)25-2/h5-6,9-10,13-15,19,22-23H,3-4,7-8,11-12H2,1-2H3
InChIKey ITDBFSMVKCRYHB-UHFFFAOYSA-N
Mol Weight 340.47 g/mol
Molecular Formula C21H28N2O2
Exact Mass 340.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtzsU617mim
Name (1R,2S)-Methyl 2-[((1'S,3'R)-1',2',3',4'-tetrahydro-3'-methyl-.beta.-carbolin-1'-yl)methyl]-cyclohexane-1-carboxylate
Alternate Name(s) Methyl 2-[(1',2',3',4'-tetrahydro-3'-methyl-.beta.-carbolin-1'-yl)methyl]-cyclohexane-1-carboxylate Methyl 2-[(3-methyl-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-yl)methyl]cyclohexanecarboxylate
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Formula C21H28N2O2
InChI InChI=1S/C21H28N2O2/c1-13-11-17-16-9-5-6-10-18(16)23-20(17)19(22-13)12-14-7-3-4-8-15(14)21(24)25-2/h5-6,9-10,13-15,19,22-23H,3-4,7-8,11-12H2,1-2H3
InChIKey ITDBFSMVKCRYHB-UHFFFAOYSA-N
Molecular Weight 340.467 g/mol
SMILES [nH]1c2ccccc2c2c1C(NC(C2)C)CC1C(C(=O)OC)CCCC1
SPLASH splash10-000i-0911000000-17deaa8645faaf7a1131
Source of Spectrum H-85-957-11
Wiley ID 1524181