SpectraBase Spectrum ID |
2ojYLzZDHT5 |
Name |
(2E)-4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic 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/C15H17NO5S/c1-2-21-15(20)13-9-5-3-4-6-10(9)22-14(13)16-11(17)7-8-12(18)19/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19)/b8-7+ |
InChIKey |
PYNITJGYUNEGPQ-BQYQJAHWSA-N |
NMR Offset |
15.328 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI-VK_18310_1929 |
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: 800566AE992-042; Labnumber: 800566AE992-042; VK_ID: VK-001930 |
Synonyms |
4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid |
Temperature |
318 °C |