SpectraBase Spectrum ID |
LEGW2qCcC6k |
Name |
3-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}propanoic 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/C20H21F3N2O2S/c21-20(22,23)15-6-16(25-18(14(15)10-24)28-2-1-17(26)27)19-7-11-3-12(8-19)5-13(4-11)9-19/h6,11-13H,1-5,7-9H2,(H,26,27)/t11-,12+,13-,19- |
InChIKey |
ZAAOKHBJDVPMLY-QWKINGPYSA-N |
NMR Offset |
15.449 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_SBI_36227_25639 |
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: D60506; Labnumber: SHES3-0198; SBI_ID: SBI-025643 |
Temperature |
308 °C |