| SpectraBase Spectrum ID |
9Vy0lIizxQs |
| Name |
2,4-thiophenedicarboxylic acid, 3-methyl-5-[[[3-nitro-1-(phenylmethyl)-1H-pyrazol-5-yl]carbonyl]amino]-, diethyl 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 |
486.120920231 u |
| Formula |
C22H22N4O7S |
| InChI |
InChI=1S/C22H22N4O7S/c1-4-32-21(28)17-13(3)18(22(29)33-5-2)34-20(17)23-19(27)15-11-16(26(30)31)24-25(15)12-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3,(H,23,27) |
| InChIKey |
XQXWRUCGIYBYFB-UHFFFAOYSA-N |
| Molecular Weight |
486.499 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14011 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10026773; Lab Info: PNA; Lab Number: PNA-1991605 |
![2,4-thiophenedicarboxylic acid, 3-methyl-5-[[[3-nitro-1-(phenylmethyl)-1H-pyrazol-5-yl]carbonyl]amino]-, diethyl ester](/api/spectrum/9Vy0lIizxQs/structure.png?h=300&w=458 "2,4-thiophenedicarboxylic acid, 3-methyl-5-[[[3-nitro-1-(phenylmethyl)-1H-pyrazol-5-yl]carbonyl]amino]-, diethyl ester")
