| SpectraBase Spectrum ID |
6iTCZwM6PoM |
| Name |
urea, N'-(3-chlorophenyl)-N-(4-methoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.161852731 u |
| Formula |
C22H24ClN5O2 |
| InChI |
InChI=1S/C22H24ClN5O2/c1-30-19-11-9-18(10-12-19)28(22(29)24-17-7-5-6-16(23)14-17)15-21-26-25-20-8-3-2-4-13-27(20)21/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,24,29) |
| InChIKey |
XVVFAULNAMRMGI-UHFFFAOYSA-N |
| Molecular Weight |
425.920 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6150 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11221673; Lab Info: DEM; Lab Number: 0623 |
![N'-(3-chlorophenyl)-N-(4-methoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea](/api/spectrum/6iTCZwM6PoM/structure.png?h=300&w=458 "N'-(3-chlorophenyl)-N-(4-methoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea")
