| SpectraBase Spectrum ID |
5NRTxY3K15Y |
| Name |
2-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}-3-nitrobenzoic 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/C17H13N3O5S/c18-8-11-9-4-1-2-7-13(9)26-16(11)19-15(21)14-10(17(22)23)5-3-6-12(14)20(24)25/h3,5-6H,1-2,4,7H2,(H,19,21)(H,22,23) |
| InChIKey |
ZJJQLKGYGAFKHA-UHFFFAOYSA-N |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_ASIOH_7000_3450 |
| 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: ZI/5110651; Labnumber: DK4-56; IOH_ID: IOH-003451 |
| Temperature |
303 °C |
![2-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}-3-nitrobenzoic acid](/api/spectrum/5NRTxY3K15Y/structure.png?h=300&w=458 "2-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}-3-nitrobenzoic acid")
