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(R)-1-(2-Oxo-ethyl)-9-(toluene-4-sulfonyl)-1,3,4,9-tetrahydro-.beta.-carboline-2-carboxylic acid benzyl ester
SpectraBase Compound ID BchKLz5suea
InChI InChI=1S/C28H26N2O5S/c1-20-11-13-22(14-12-20)36(33,34)30-25-10-6-5-9-23(25)24-15-17-29(26(16-18-31)27(24)30)28(32)35-19-21-7-3-2-4-8-21/h2-14,18,26H,15-17,19H2,1H3/t26-/m1/s1
InChIKey RBOSRVLEEVMRKU-AREMUKBSSA-N
Mol Weight 502.59 g/mol
Molecular Formula C28H26N2O5S
Exact Mass 502.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Enka5YK09ry
Name (R)-1-(2-Oxo-ethyl)-9-(toluene-4-sulfonyl)-1,3,4,9-tetrahydro-.beta.-carboline-2-carboxylic acid benzyl ester
Alternate Name(s) (1RS)-2-Benzyloxycarbonyl-1-(2-oxoethyl)-N-(p-toluenesulfonyl)-1,2,3,4-tetrahydro-.beta.-carboline benzyl (1R)-9-[(4-methylphenyl)sulfonyl]-1-(2-oxoethyl)-1,3,4,9-tetrahydro-2H-.beta.-carboline-2-carboxylate
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Formula C28H26N2O5S
InChI InChI=1S/C28H26N2O5S/c1-20-11-13-22(14-12-20)36(33,34)30-25-10-6-5-9-23(25)24-15-17-29(26(16-18-31)27(24)30)28(32)35-19-21-7-3-2-4-8-21/h2-14,18,26H,15-17,19H2,1H3/t26-/m1/s1
InChIKey RBOSRVLEEVMRKU-AREMUKBSSA-N
Molecular Weight 502.585 g/mol
SMILES c12[n](c3c(c2CCN([C@@]1(CC=O)[H])C(OCc1ccccc1)=O)cccc3)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9001000000-b1cfc0b919e965086ca2
Source of Spectrum SO-0-1190-27
Wiley ID 1545235