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5-[3-(3-chloro-4-methylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
SpectraBase Compound ID IGACKPU11T8
InChI InChI=1S/C23H21ClN4O2/c1-14-7-8-16(10-19(14)24)26-12-17(29)13-27-20-5-3-4-6-21(20)28-22(30)9-15(2)18(11-25)23(27)28/h3-10,17,26,29H,12-13H2,1-2H3
InChIKey DLVVLNCJIOUNLY-UHFFFAOYSA-N
Mol Weight 420.9 g/mol
Molecular Formula C23H21ClN4O2
Exact Mass 420.135304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EbtdooGChSd
Name 5-[3-(3-chloro-4-methylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
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/C23H21ClN4O2/c1-14-7-8-16(10-19(14)24)26-12-17(29)13-27-20-5-3-4-6-21(20)28-22(30)9-15(2)18(11-25)23(27)28/h3-10,17,26,29H,12-13H2,1-2H3
InChIKey DLVVLNCJIOUNLY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4623
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: E09666; Labnumber: POPOV-4458; SBI_ID: SBI-004625
Temperature 308 °C