SpectraBase Spectrum ID |
75Y9qEaIJ8E |
Name |
methyl 5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.012352263 u |
Formula |
C12H12BrN5O3 |
InChI |
InChI=1S/C12H12BrN5O3/c1-21-12(20)10-11(14)18(17-16-10)6-9(19)15-8-4-2-7(13)3-5-8/h2-5H,6,14H2,1H3,(H,15,19) |
InChIKey |
QCYMUXUBLDZWIS-UHFFFAOYSA-N |
Molecular Weight |
354.164 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_7964 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13218899 |