| SpectraBase Spectrum ID |
KR5bK26pa8K |
| Name |
1H-pyrrole-1-butanoic acid, 2-(1,3-benzodioxol-5-yl)-2,5-dihydro-4-hydroxy-3-(4-methylbenzoyl)-5-oxo- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.131802013 u |
| Formula |
C23H21NO7 |
| InChI |
InChI=1S/C23H21NO7/c1-13-4-6-14(7-5-13)21(27)19-20(15-8-9-16-17(11-15)31-12-30-16)24(23(29)22(19)28)10-2-3-18(25)26/h4-9,11,20,28H,2-3,10,12H2,1H3,(H,25,26) |
| InChIKey |
LRUTXWSVQXLYTD-UHFFFAOYSA-N |
| Molecular Weight |
423.421 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5243 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/9048292; Lab Info: GEI; Lab Number: GEI-G006589 |
![4-[2-(1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid](/api/spectrum/KR5bK26pa8K/structure.png?h=300&w=458 "4-[2-(1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid")
