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1-[2-(4-methoxyphenyl)-1-methyl-2-oxoethyl]-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyridinium bromide

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1-[2-(4-methoxyphenyl)-1-methyl-2-oxoethyl]-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyridinium bromide
SpectraBase Compound ID 2PttkkksSxr
InChI InChI=1S/C22H25N4O2.BrH/c1-16(21(27)17-7-9-19(28-2)10-8-17)25-14-11-18(12-15-25)22-24-23-20-6-4-3-5-13-26(20)22;/h7-12,14-16H,3-6,13H2,1-2H3;1H/q+1;/p-1
InChIKey HAEFAVBQBQVJPT-UHFFFAOYSA-M
Mol Weight 457.37 g/mol
Molecular Formula C22H25BrN4O2
Exact Mass 456.116089 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CXVUlj37Ja
Name 1-[2-(4-methoxyphenyl)-1-methyl-2-oxoethyl]-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyridinium bromide
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/C22H25N4O2.BrH/c1-16(21(27)17-7-9-19(28-2)10-8-17)25-14-11-18(12-15-25)22-24-23-20-6-4-3-5-13-26(20)22;/h7-12,14-16H,3-6,13H2,1-2H3;1H/q+1;/p-1
InChIKey HAEFAVBQBQVJPT-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5976
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: 121890; Labnumber: EX00112344; VK_ID: VK-005979
Temperature 308 °C