| SpectraBase Spectrum ID |
DKTSL0WOAgL |
| Name |
3-[(4-bromoanilino)methyl]-1-[2-(4-nitrophenyl)-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/C22H23BrN5O3.BrH/c23-17-7-9-18(10-8-17)24-14-21-25-27(22-4-2-1-3-13-26(21)22)15-20(29)16-5-11-19(12-6-16)28(30)31;/h5-12,24H,1-4,13-15H2;1H/q+1;/p-1 |
| InChIKey |
CBEDGPUOOSPJRZ-UHFFFAOYSA-M |
| NMR Offset |
15.3537 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI-VK_18310_5921 |
| 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: 121824; Labnumber: EX00112194; VK_ID: VK-005924 |
| Temperature |
308 °C |
![3-[(4-bromoanilino)methyl]-1-[2-(4-nitrophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-1-ium bromide](/api/spectrum/DKTSL0WOAgL/structure.png?h=300&w=458 "3-[(4-bromoanilino)methyl]-1-[2-(4-nitrophenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-1-ium bromide")
