| SpectraBase Spectrum ID |
C6EGXrn2fwl |
| Name |
2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)nicotinonitrile |
| 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/C20H17F3N2O3S/c1-19(2,3)17-7-13(20(21,22)23)12(8-24)18(25-17)29-9-14(26)11-4-5-15-16(6-11)28-10-27-15/h4-7H,9-10H2,1-3H3 |
| InChIKey |
KPFCPGVKTGIAAJ-UHFFFAOYSA-N |
| NMR Offset |
15.3537 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_9768 |
| 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: D60493; Labnumber: SHES3-0174; SBI_ID: SBI-009771 |
| Temperature |
308 °C |
![2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)nicotinonitrile](/api/spectrum/C6EGXrn2fwl/structure.png?h=300&w=458 "2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)nicotinonitrile")
