| SpectraBase Spectrum ID |
6iz5yy12SUh |
| Name |
2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-(difluoromethyl)-4-phenylnicotinonitrile |
| 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/C21H13ClF2N2O2S/c22-16-8-19-18(27-11-28-19)6-13(16)10-29-21-15(9-25)14(7-17(26-21)20(23)24)12-4-2-1-3-5-12/h1-8,20H,10-11H2 |
| InChIKey |
AYZJUSPDVOLENV-UHFFFAOYSA-N |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_18759 |
| 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: UZI/9128306; UBI_ID: UBI-018762 |
| Temperature |
318 °C |
![2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-(difluoromethyl)-4-phenylnicotinonitrile](/api/spectrum/6iz5yy12SUh/structure.png?h=300&w=458 "2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-(difluoromethyl)-4-phenylnicotinonitrile")
