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(3R,3.beta.)-1-(1S,2S)-[[1-[(Benzoyloxy)methyl]cyclohex-4-en-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SpectraBase Compound ID 8owNF3fL6vS
InChI InChI=1S/C26H28N2O2/c29-26(18-8-2-1-3-9-18)30-17-20-11-5-4-10-19(20)16-24-25-22(14-15-27-24)21-12-6-7-13-23(21)28-25/h1-9,12-13,19-20,24,27-28H,10-11,14-17H2/t19-,20+,24?/m0/s1
InChIKey GKUIMGMGUMHBTH-ZPVKFHTISA-N
Mol Weight 400.52 g/mol
Molecular Formula C26H28N2O2
Exact Mass 400.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kseyLZK5e9
Name (3R,3.beta.)-1-(1S,2S)-[[1-[(Benzoyloxy)methyl]cyclohex-4-en-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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Formula C26H28N2O2
InChI InChI=1S/C26H28N2O2/c29-26(18-8-2-1-3-9-18)30-17-20-11-5-4-10-19(20)16-24-25-22(14-15-27-24)21-12-6-7-13-23(21)28-25/h1-9,12-13,19-20,24,27-28H,10-11,14-17H2/t19-,20+,24?/m0/s1
InChIKey GKUIMGMGUMHBTH-ZPVKFHTISA-N
Molecular Weight 400.522 g/mol
SMILES [nH]1c2ccccc2c2c1C(C[C@]1([C@@](COC(=O)c3ccccc3)(CC=CC1)[H])[H])NCC2
SPLASH splash10-00fr-0960000000-bf97a0cfad9dfe50c0ac
Source of Spectrum J-60-2511-13
Synonyms [(1S,6S)-6-(2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-ylmethyl)-3-cyclohexen-1-yl]methyl benzoate
Wiley ID 1369630