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 |