| SpectraBase Spectrum ID |
4gpv74BeMNS |
| Name |
benzoic acid, 2-chloro-5-[(4E)-4,5-dihydro-3-methyl-5-oxo-4-(2-thienylmethylene)-1H-pyrazol-1-yl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.017891093 u |
| Formula |
C16H11ClN2O3S |
| InChI |
InChI=1S/C16H11ClN2O3S/c1-9-12(8-11-3-2-6-23-11)15(20)19(18-9)10-4-5-14(17)13(7-10)16(21)22/h2-8H,1H3,(H,21,22)/b12-8+ |
| InChIKey |
IPGORUFBIQIASW-XYOKQWHBSA-N |
| Molecular Weight |
346.788 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_927 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8031663; Lab Info: SAD; Lab Number: SAD-9830439 |
![benzoic acid, 2-chloro-5-[(4E)-4,5-dihydro-3-methyl-5-oxo-4-(2-thienylmethylene)-1H-pyrazol-1-yl]-](/api/spectrum/4gpv74BeMNS/structure.png?h=300&w=458 "benzoic acid, 2-chloro-5-[(4E)-4,5-dihydro-3-methyl-5-oxo-4-(2-thienylmethylene)-1H-pyrazol-1-yl]-")
