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methyl 4-chloro-3-[(3,4-dihydro-2(1H)-isoquinolinylacetyl)amino]-1H-indole-2-carboxylate
SpectraBase Compound ID 3ANOcxwHRyT
InChI InChI=1S/C21H20ClN3O3/c1-28-21(27)20-19(18-15(22)7-4-8-16(18)23-20)24-17(26)12-25-10-9-13-5-2-3-6-14(13)11-25/h2-8,23H,9-12H2,1H3,(H,24,26)
InChIKey LMNRGGVWDQLWKF-UHFFFAOYSA-N
Mol Weight 397.86 g/mol
Molecular Formula C21H20ClN3O3
Exact Mass 397.119319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KxTXkfzf3Hd
Name methyl 4-chloro-3-[(3,4-dihydro-2(1H)-isoquinolinylacetyl)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/C21H20ClN3O3/c1-28-21(27)20-19(18-15(22)7-4-8-16(18)23-20)24-17(26)12-25-10-9-13-5-2-3-6-14(13)11-25/h2-8,23H,9-12H2,1H3,(H,24,26)
InChIKey LMNRGGVWDQLWKF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7919
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: D47893; Labnumber: SIMAK-01617; SBI_ID: SBI-007922
Temperature 318 °C