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1-Butyl-3-carbethoxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7s5rnIMYmau
Name 1-Butyl-3-carbethoxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.241292895 u
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 C1(=C(N(CCCC)C2=C1C(CN1CCCCC1)=C(C=C2)O)C)C(=O)OCC