| SpectraBase Spectrum ID |
9E3YSG0dKwh |
| Name |
3-{(4Z)-4-[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C21H18IN3O6/c1-11-15(20(27)25(24-11)14-5-3-4-13(9-14)21(28)29)6-12-7-16(22)19(17(8-12)30-2)31-10-18(23)26/h3-9H,10H2,1-2H3,(H2,23,26)(H,28,29)/b15-6- |
| InChIKey |
BTXUSFHXEGSKGQ-UUASQNMZSA-N |
| NMR Offset |
14.9921 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_6094 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: UZI/8178830; UBI_ID: UBI-006096 |
| Synonyms |
3-{4-[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Temperature |
308 °C |
![3-{(4Z)-4-[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid](/api/spectrum/9E3YSG0dKwh/structure.png?h=300&w=458 "3-{(4Z)-4-[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid")
