| SpectraBase Spectrum ID |
1EqxHEn7uiQ |
| Name |
3H-pyrazol-3-one, 2-(3-bromophenyl)-2,4-dihydro-4-[[3-methoxy-4-(1-oxopropoxy)phenyl]methylene]-5-methyl-, (4Z)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.052820096 u |
| Formula |
C21H19BrN2O4 |
| InChI |
InChI=1S/C21H19BrN2O4/c1-4-20(25)28-18-9-8-14(11-19(18)27-3)10-17-13(2)23-24(21(17)26)16-7-5-6-15(22)12-16/h5-12H,4H2,1-3H3/b17-10- |
| InChIKey |
ZSXZGIUXNXLQSS-YVLHZVERSA-N |
| Molecular Weight |
443.297 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_541 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8100896; Lab Info: CEP; Lab Number: CEP-1000712 |
| Temperature |
29.85 °C |
![3H-pyrazol-3-one, 2-(3-bromophenyl)-2,4-dihydro-4-[[3-methoxy-4-(1-oxopropoxy)phenyl]methylene]-5-methyl-, (4Z)-](/api/spectrum/1EqxHEn7uiQ/structure.png?h=300&w=458 "3H-pyrazol-3-one, 2-(3-bromophenyl)-2,4-dihydro-4-[[3-methoxy-4-(1-oxopropoxy)phenyl]methylene]-5-methyl-, (4Z)-")
