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1H-Indole-2-acetic acid, 3-[2-(3,6-dihydro-1(2H)-pyridinyl)ethyl]-1-methyl-.alpha.-oxo-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-Indole-2-acetic acid, 3-[2-(3,6-dihydro-1(2H)-pyridinyl)ethyl]-1-methyl-.alpha.-oxo-, methyl ester
SpectraBase Compound ID 4K0bvL0AtBW
InChI InChI=1S/C19H22N2O3/c1-20-16-9-5-4-8-14(16)15(17(20)18(22)19(23)24-2)10-13-21-11-6-3-7-12-21/h3-6,8-9H,7,10-13H2,1-2H3
InChIKey VSLAWCJCTNGWCZ-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C19H22N2O3
Exact Mass 326.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ke8EVIncfDm
Name 1H-Indole-2-acetic acid, 3-[2-(3,6-dihydro-1(2H)-pyridinyl)ethyl]-1-methyl-.alpha.-oxo-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.163042573 u
Formula C19H22N2O3
InChI InChI=1S/C19H22N2O3/c1-20-16-9-5-4-8-14(16)15(17(20)18(22)19(23)24-2)10-13-21-11-6-3-7-12-21/h3-6,8-9H,7,10-13H2,1-2H3
InChIKey VSLAWCJCTNGWCZ-UHFFFAOYSA-N
Molecular Weight 326.396 g/mol
SMILES C=1(N(C=2C=CC=CC2C1CCN1CC=CCC1)C)C(C(=O)OC)=O