| SpectraBase Spectrum ID |
CUECVsJjQOL |
| Name |
benzoic acid, 4-[(4Z)-4-[(2,3-dihydro-2-methyl-5-benzofuranyl)methylene]-4,5-dihydro-3-methyl-5-oxo-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 |
362.126657064 u |
| Formula |
C21H18N2O4 |
| InChI |
InChI=1S/C21H18N2O4/c1-12-9-16-10-14(3-8-19(16)27-12)11-18-13(2)22-23(20(18)24)17-6-4-15(5-7-17)21(25)26/h3-8,10-12H,9H2,1-2H3,(H,25,26)/b18-11- |
| InChIKey |
YDPGPSHUSXQXEG-WQRHYEAKSA-N |
| Molecular Weight |
362.385 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15398 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10311343; Lab Info: LP; Lab Number: LP-3400310 |
![benzoic acid, 4-[(4Z)-4-[(2,3-dihydro-2-methyl-5-benzofuranyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-](/api/spectrum/CUECVsJjQOL/structure.png?h=300&w=458 "benzoic acid, 4-[(4Z)-4-[(2,3-dihydro-2-methyl-5-benzofuranyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-")
