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3-(diethylamino)propyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
SpectraBase Compound ID 5P4BCIgYBx3
InChI InChI=1S/C25H31BrN2O3S/c1-5-28(6-2)13-10-14-31-25(29)24-19-15-23(30-4)20(26)16-21(19)27(3)22(24)17-32-18-11-8-7-9-12-18/h7-9,11-12,15-16H,5-6,10,13-14,17H2,1-4H3
InChIKey YBGZSQDMEURFMO-UHFFFAOYSA-N
Mol Weight 519.5 g/mol
Molecular Formula C25H31BrN2O3S
Exact Mass 518.123877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Wep69cLwKK
Name 3-(diethylamino)propyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Alternate Name(s) 3-(diethylamino)propyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate 3-(diethylamino)propyl 6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate 6-Bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid 3-(diethylamino)propyl ester 6-Bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid 3-(diethylamino)propyl ester
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Formula C25H31BrN2O3S
InChI InChI=1S/C25H31BrN2O3S/c1-5-28(6-2)13-10-14-31-25(29)24-19-15-23(30-4)20(26)16-21(19)27(3)22(24)17-32-18-11-8-7-9-12-18/h7-9,11-12,15-16H,5-6,10,13-14,17H2,1-4H3
InChIKey YBGZSQDMEURFMO-UHFFFAOYSA-N
Molecular Weight 519.498 g/mol
SMILES c12cc(c(cc2c(c([n]1C)CSc1ccccc1)C(OCCCN(CC)CC)=O)OC)Br
SPLASH splash10-000i-9210000000-5613ce937dedaef8f42e
Wiley ID 1512193