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(2E)-3-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N-(3-methoxypropyl)-2-propenamide
SpectraBase Compound ID 7o6NYubHfZO
InChI InChI=1S/C23H22ClN3O2/c1-29-12-6-11-26-23(28)18(14-25)13-19-16-27(22-10-5-3-8-20(19)22)15-17-7-2-4-9-21(17)24/h2-5,7-10,13,16H,6,11-12,15H2,1H3,(H,26,28)/b18-13+
InChIKey ZKRYOCQYNZMJQW-QGOAFFKASA-N
Mol Weight 407.9 g/mol
Molecular Formula C23H22ClN3O2
Exact Mass 407.140055 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 89YcuQDnU04
Name (2E)-3-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N-(3-methoxypropyl)-2-propenamide
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/C23H22ClN3O2/c1-29-12-6-11-26-23(28)18(14-25)13-19-16-27(22-10-5-3-8-20(19)22)15-17-7-2-4-9-21(17)24/h2-5,7-10,13,16H,6,11-12,15H2,1H3,(H,26,28)/b18-13+
InChIKey ZKRYOCQYNZMJQW-QGOAFFKASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15703
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: C75082; Labnumber: SPDEM-1884; SBI_ID: SBI-015706
Synonyms 3-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N-(3-methoxypropyl)-2-propenamide
Temperature 318 °C