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Methyl 2-[3',4'-dihydro-3'-methyl-.beta.-carbolin-1'-yl)methyl]cyclohexane-1-carboxylate
SpectraBase Compound ID JwXJT2loRL1
InChI InChI=1S/C21H26N2O2/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/h5-6,9-10,13-15,23H,3-4,7-8,11-12H2,1-2H3/t13-,14+,15-/m1/s1
InChIKey RALHSQZADUUDIZ-QLFBSQMISA-N
Mol Weight 338.45 g/mol
Molecular Formula C21H26N2O2
Exact Mass 338.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fa6KobZRTHS
Name Methyl 2-[3',4'-dihydro-3'-methyl-.beta.-carbolin-1'-yl)methyl]cyclohexane-1-carboxylate
Alternate Name(s) (1R,2S)-Methyl 2-[(3',4'-dihydro-(R)-3'-methyl-.beta.-carbolin-1'-yl)methyl]-cyclohexane-1-carboxylate Methyl (1R,2S)-2-{[(3R)-3-methyl-4,9-dihydro-3H-.beta.-carbolin-1-yl]methyl}cyclohexanecarboxylate Methyl 2-[(3',4'-dihydro-3'-methyl-.beta.-carbolin-1'-yl)methyl]-cyclohexane-1-carboxylate
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Formula C21H26N2O2
InChI InChI=1S/C21H26N2O2/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/h5-6,9-10,13-15,23H,3-4,7-8,11-12H2,1-2H3/t13-,14+,15-/m1/s1
InChIKey RALHSQZADUUDIZ-QLFBSQMISA-N
Molecular Weight 338.451 g/mol
SMILES [nH]1c2ccccc2c2c1C(=N[C@@](C2)(C)[H])C[C@]1([C@](C(=O)OC)(CCCC1)[H])[H]
SPLASH splash10-0002-0900000000-702e5d70761b27e33eb9
Source of Spectrum H-85-957-10
Wiley ID 1524215