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ethyl 5-chloro-3-({[1-(4-methylphenyl)cyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
SpectraBase Compound ID F86cjetHMtY
InChI InChI=1S/C22H21ClN2O3/c1-3-28-20(26)19-18(16-12-15(23)8-9-17(16)24-19)25-21(27)22(10-11-22)14-6-4-13(2)5-7-14/h4-9,12,24H,3,10-11H2,1-2H3,(H,25,27)
InChIKey LIRRANRPNSQCCG-UHFFFAOYSA-N
Mol Weight 396.87 g/mol
Molecular Formula C22H21ClN2O3
Exact Mass 396.12407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K5MEYT0NhZU
Name ethyl 5-chloro-3-({[1-(4-methylphenyl)cyclopropyl]carbonyl}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/C22H21ClN2O3/c1-3-28-20(26)19-18(16-12-15(23)8-9-17(16)24-19)25-21(27)22(10-11-22)14-6-4-13(2)5-7-14/h4-9,12,24H,3,10-11H2,1-2H3,(H,25,27)
InChIKey LIRRANRPNSQCCG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19454
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: D13746; Labnumber: SIMAK-01265; SBI_ID: SBI-019457
Temperature 318 °C