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1-Butyl-3-carbethoxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate
SpectraBase Compound ID 5ksBjtdCvE7
InChI InChI=1S/C22H32N2O3/c1-4-6-14-24-16(3)20(22(26)27-5-2)21-17(19(25)11-10-18(21)24)15-23-12-8-7-9-13-23/h10-11,25H,4-9,12-15H2,1-3H3
InChIKey XWXJRRBEWXZTBJ-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C22H32N2O3
Exact Mass 372.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sYLVvHeDRM
Name 1-Butyl-3-carbethoxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O3
InChI InChI=1S/C22H32N2O3/c1-4-6-14-24-16(3)20(22(26)27-5-2)21-17(19(25)11-10-18(21)24)15-23-12-8-7-9-13-23/h10-11,25H,4-9,12-15H2,1-3H3
InChIKey XWXJRRBEWXZTBJ-UHFFFAOYSA-N
Molecular Weight 372.509 g/mol
SMILES Oc1c(c2c(c([n](CCCC)c2cc1)C)C(=O)OCC)CN1CCCCC1
SPLASH splash10-00dr-9488000000-476ec13e53db6794bcfc
Synonyms 1-Butyl-3-ethoxycarbonyl-2-methyl-4-(1-piperidin-1-iumylmethyl)-5-indololate 1-Butyl-3-ethoxycarbonyl-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate 1-Butyl-5-hydroxy-2-methyl-4-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester 1-Butyl-5-hydroxy-2-methyl-4-(piperidinomethyl)indole-3-carboxylic acid ethyl ester Ethyl 1-butyl-2-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Ethyl 1-butyl-5-hydroxy-2-methyl-4-(1-piperidylmethyl)indole-3-carboxylate Ethyl 1-butyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate
Wiley ID 1452979