| SpectraBase Spectrum ID |
AakSSB6GuPS |
| Name |
benzoic acid, 4-[(Z)-[4-oxo-3-[2-oxo-2-[[(3S,4R)-tetrahydro-4-hydroxythienyl]amino]ethyl]-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester |
| 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/C18H18N2O5S3/c1-25-17(24)11-4-2-10(3-5-11)6-14-16(23)20(18(26)28-14)7-15(22)19-12-8-27-9-13(12)21/h2-6,12-13,21H,7-9H2,1H3,(H,19,22)/b14-6- |
| InChIKey |
DMRPUMLLGCFCRV-NSIKDUERSA-N |
| NMR Offset |
15.5012 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_11628_5509 |
| 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: F25831; Labnumber: EXGOR1-10014 |
![benzoic acid, 4-[(Z)-[4-oxo-3-[2-oxo-2-[[(3S,4R)-tetrahydro-4-hydroxythienyl]amino]ethyl]-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester](/api/spectrum/AakSSB6GuPS/structure.png?h=300&w=458 "benzoic acid, 4-[(Z)-[4-oxo-3-[2-oxo-2-[[(3S,4R)-tetrahydro-4-hydroxythienyl]amino]ethyl]-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester")
