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Methyl 1-[(4-Chlorobenzyl)amino]-5-methoxy-1H-indole-3-carboxylate Trifluoroacetate
SpectraBase Compound ID Bn7XGH9E4ZK
InChI InChI=1S/C18H17ClN2O3.C2HF3O2/c1-23-14-7-8-17-15(9-14)16(18(22)24-2)11-21(17)20-10-12-3-5-13(19)6-4-12;3-2(4,5)1(6)7/h3-9,11,20H,10H2,1-2H3;(H,6,7)
InChIKey UKCFTOUMPMERAR-UHFFFAOYSA-N
Mol Weight 458.82 g/mol
Molecular Formula C20H18ClF3N2O5
Exact Mass 458.085634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQGhVCEXSsA
Name Methyl 1-[(4-Chlorobenzyl)amino]-5-methoxy-1H-indole-3-carboxylate Trifluoroacetate
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Formula C20H18ClF3N2O5
InChI InChI=1S/C18H17ClN2O3.C2HF3O2/c1-23-14-7-8-17-15(9-14)16(18(22)24-2)11-21(17)20-10-12-3-5-13(19)6-4-12;3-2(4,5)1(6)7/h3-9,11,20H,10H2,1-2H3;(H,6,7)
InChIKey UKCFTOUMPMERAR-UHFFFAOYSA-N
Molecular Weight 458.821 g/mol
SMILES OC(C(F)(F)F)=O.N([n]1cc(c2c1ccc(c2)OC)C(=O)OC)Cc1ccc(Cl)cc1
SPLASH splash10-014i-0393000000-bd205e2227272a034e4b
Source of Spectrum U1-2008-5955-7c
Wiley ID 1662309