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1-(3-chloroanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
SpectraBase Compound ID XJYR9mq7uW
InChI InChI=1S/C27H29ClN4/c1-3-4-5-6-7-8-14-22-19(2)23(18-29)27-31-24-15-9-10-16-25(24)32(27)26(22)30-21-13-11-12-20(28)17-21/h9-13,15-17,30H,3-8,14H2,1-2H3
InChIKey PYIRSOQEEXDVIO-UHFFFAOYSA-N
Mol Weight 445.01 g/mol
Molecular Formula C27H29ClN4
Exact Mass 444.208075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F7khDkWvq0z
Name 1-(3-chloroanilino)-3-methyl-2-octylpyrido[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/C27H29ClN4/c1-3-4-5-6-7-8-14-22-19(2)23(18-29)27-31-24-15-9-10-16-25(24)32(27)26(22)30-21-13-11-12-20(28)17-21/h9-13,15-17,30H,3-8,14H2,1-2H3
InChIKey PYIRSOQEEXDVIO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13060
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: 101796; Labnumber: EX00081990; VK_ID: VK-013065
Temperature 308 °C