SpectraBase Spectrum ID |
3RdWUOXF5iR |
Name |
benzoic acid, 2-chloro-, 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
468.120047487 u |
Formula |
C23H21ClN4O5 |
InChI |
InChI=1S/C23H21ClN4O5/c1-11-18(21(29)27-25-11)20(19-12(2)26-28-22(19)30)13-8-9-16(17(10-13)32-3)33-23(31)14-6-4-5-7-15(14)24/h4-10,20H,1-3H3,(H2,25,27,29)(H2,26,28,30) |
InChIKey |
UAIKTYLXOQVKFT-UHFFFAOYSA-N |
Molecular Weight |
468.897 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_6206 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10220575; Lab Info: LP; Lab Number: LP-0900776 |