| SpectraBase Spectrum ID |
A1QPmf8aZMY |
| Name |
3-[(4-chloroanilino)methyl]-1-[2-(4-chlorophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-1-ium 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/C22H23Cl2N4O.BrH/c23-17-7-5-16(6-8-17)20(29)15-28-22-4-2-1-3-13-27(22)21(26-28)14-25-19-11-9-18(24)10-12-19;/h5-12,25H,1-4,13-15H2;1H/q+1;/p-1 |
| InChIKey |
SHQIDGRNOSPLQF-UHFFFAOYSA-M |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI-VK_18310_5884 |
| 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: 121779; Labnumber: EX00112079; VK_ID: VK-005887 |
| Temperature |
318 °C |
![3-[(4-chloroanilino)methyl]-1-[2-(4-chlorophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-1-ium bromide](/api/spectrum/A1QPmf8aZMY/structure.png?h=300&w=458 "3-[(4-chloroanilino)methyl]-1-[2-(4-chlorophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-1-ium bromide")
