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6-Bromanyl-3-ethoxycarbonyl-2-methyl-1-phenyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate
SpectraBase Compound ID KWHfIecVKDw
InChI InChI=1S/C24H27BrN2O3/c1-3-30-24(29)21-16(2)27(17-10-6-4-7-11-17)20-14-19(25)23(28)18(22(20)21)15-26-12-8-5-9-13-26/h4,6-7,10-11,14,28H,3,5,8-9,12-13,15H2,1-2H3
InChIKey HFHPGVWSPQSRDS-UHFFFAOYSA-N
Mol Weight 471.4 g/mol
Molecular Formula C24H27BrN2O3
Exact Mass 470.120506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uhnEKsKacN
Name 6-Bromanyl-3-ethoxycarbonyl-2-methyl-1-phenyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27BrN2O3
InChI InChI=1S/C24H27BrN2O3/c1-3-30-24(29)21-16(2)27(17-10-6-4-7-11-17)20-14-19(25)23(28)18(22(20)21)15-26-12-8-5-9-13-26/h4,6-7,10-11,14,28H,3,5,8-9,12-13,15H2,1-2H3
InChIKey HFHPGVWSPQSRDS-UHFFFAOYSA-N
Molecular Weight 471.395 g/mol
SMILES Oc1c(c2c(c([n](-c3ccccc3)c2cc1Br)C)C(=O)OCC)CN1CCCCC1
SPLASH splash10-053i-9005100000-73bbaf22690ffc05f50c
Synonyms 6-Bromo-3-carbethoxy-2-methyl-1-phenyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate 6-Bromo-3-ethoxycarbonyl-2-methyl-1-phenyl-4-(1-piperidin-1-iumylmethyl)-5-indololate 6-Bromo-3-ethoxycarbonyl-2-methyl-1-phenyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate 6-Bromo-5-hydroxy-2-methyl-1-phenyl-4-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester 6-Bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidinomethyl)indole-3-carboxylic acid ethyl ester Ethyl 6-bromanyl-2-methyl-5-oxidanyl-1-phenyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(1-piperidylmethyl)indole-3-carboxylate Ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate
Wiley ID 1436672