| SpectraBase Spectrum ID |
IkTTlIhpfEt |
| Name |
3H-pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-5-methyl-, (4E)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.028455777 u |
| Formula |
C19H13ClN2O4S |
| InChI |
InChI=1S/C19H13ClN2O4S/c1-10-14(18(23)22(21-10)13-5-3-4-12(20)9-13)6-11-7-15(25-2)17-16(8-11)27-19(24)26-17/h3-9H,1-2H3/b14-6+ |
| InChIKey |
QDOAPTXVJDBHEU-MKMNVTDBSA-N |
| Molecular Weight |
400.836 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5671 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9234303; Lab Info: SAD; Lab Number: SAD-0000163 |
![3H-pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-5-methyl-, (4E)-](/api/spectrum/IkTTlIhpfEt/structure.png?h=300&w=458 "3H-pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-5-methyl-, (4E)-")
