| SpectraBase Spectrum ID |
LgiCXjJmqaG |
| Name |
2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-(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/C22H14ClF3N2O3S/c1-29-14-4-2-12(3-5-14)15-7-20(22(24,25)26)28-21(16(15)9-27)32-10-13-6-18-19(8-17(13)23)31-11-30-18/h2-8H,10-11H2,1H3 |
| InChIKey |
WHAKXOCAQXQIER-UHFFFAOYSA-N |
| NMR Offset |
14.9921 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_18949 |
| 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/9132026; UBI_ID: UBI-018952 |
| Temperature |
313 °C |
![2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile](/api/spectrum/LgiCXjJmqaG/structure.png?h=300&w=458 "2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile")
