SpectraBase Spectrum ID |
BYraRfEaAJm |
Name |
isopropyl 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate |
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/C22H22N2O3S/c1-14(2)27-20(26)11-16(25)13-28-22-18(12-23)21(15-7-4-3-5-8-15)17-9-6-10-19(17)24-22/h3-5,7-8,14H,6,9-11,13H2,1-2H3 |
InChIKey |
KCWFWCWYLAZZPC-UHFFFAOYSA-N |
NMR Offset |
15.449 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI-VK_18310_10536 |
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: 132617; Labnumber: SHES1-176; VK_ID: VK-010540 |
Temperature |
308 °C |