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anti-5-Benzyloxy-3-(tert-butyloxycarbonyl)-1-chloroethyl-1,2,6,7,8,9-hexahydro-3H-benz[e]indole
SpectraBase Compound ID G0l7HotDU80
InChI InChI=1S/C26H32ClNO3/c1-17(27)21-15-28(25(29)31-26(2,3)4)22-14-23(30-16-18-10-6-5-7-11-18)19-12-8-9-13-20(19)24(21)22/h5-7,10-11,14,17,21H,8-9,12-13,15-16H2,1-4H3
InChIKey SQQQKPSJXDFVQP-UHFFFAOYSA-N
Mol Weight 442.0 g/mol
Molecular Formula C26H32ClNO3
Exact Mass 441.207072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IP86jasng25
Name anti-5-Benzyloxy-3-(tert-butyloxycarbonyl)-1-chloroethyl-1,2,6,7,8,9-hexahydro-3H-benz[e]indole
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Formula C26H32ClNO3
InChI InChI=1S/C26H32ClNO3/c1-17(27)21-15-28(25(29)31-26(2,3)4)22-14-23(30-16-18-10-6-5-7-11-18)19-12-8-9-13-20(19)24(21)22/h5-7,10-11,14,17,21H,8-9,12-13,15-16H2,1-4H3
InChIKey SQQQKPSJXDFVQP-UHFFFAOYSA-N
Molecular Weight 441.999 g/mol
SMILES c12N(CC(c2c2CCCCc2c(c1)OCc1ccccc1)C(Cl)C)C(OC(C)(C)C)=O
SPLASH splash10-0006-9007200000-74f4123c04a8b17406fc
Source of Spectrum K1-2002-1641-18
Synonyms (syn)-5-Benzyloxy-3-(t-butoxycarbonyl)-1-(1'-chloroethyl)-1,2,6,7,8,9-hexahydro-3H-benz[e]indole (anti)-5-Benzyloxy-3-[(t-butoxycarbonyl)amino]-1-(1'-chloroethyl)-1,2,6,7,8,9-hexahydro-3H-benz[e]indole (syn)-5-Benzyloxy-3-[(t-butoxycarbonyl)amino]-1-(1'-chloroethyl)-1,2,6,7,8,9-hexahydro-3H-benz[e]indole anti-5-Benzyloxy-3-(tert-butyloxycarbonylamino)-1-chloroethyl-1,2,6,7,8,9-hexahydro-3H-benz[e]indole tert-Butyl 5-(benzyloxy)-1-(1-chloroethyl)-1,2,6,7,8,9-hexahydro-3H-benzo[e]indole-3-carboxylate
Wiley ID 872215