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methyl 4-chloro-3-{[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)acetyl]amino}-1H-indole-2-carboxylate
SpectraBase Compound ID IAoysN10TH
InChI InChI=1S/C22H28ClN3O3/c1-21(2)8-13-9-22(3,11-21)12-26(13)10-16(27)25-18-17-14(23)6-5-7-15(17)24-19(18)20(28)29-4/h5-7,13,24H,8-12H2,1-4H3,(H,25,27)
InChIKey CUOHIKCCHYWTHC-UHFFFAOYSA-N
Mol Weight 417.94 g/mol
Molecular Formula C22H28ClN3O3
Exact Mass 417.181919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 72y9KNaSW9o
Name methyl 4-chloro-3-{[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)acetyl]amino}-1H-indole-2-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H28ClN3O3/c1-21(2)8-13-9-22(3,11-21)12-26(13)10-16(27)25-18-17-14(23)6-5-7-15(17)24-19(18)20(28)29-4/h5-7,13,24H,8-12H2,1-4H3,(H,25,27)
InChIKey CUOHIKCCHYWTHC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7916
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D47889; Labnumber: SIMAK-01613; SBI_ID: SBI-007919
Temperature 318 °C