| SpectraBase Spectrum ID |
85wcAMxXPqH |
| Name |
4-(1,1-Difluorobut-3-enyl)-6-methyl-1-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19F2N3O |
| InChI |
InChI=1S/C21H19F2N3O/c1-4-9-21(22,23)18-10-14(2)25-20-19(18)16(11-24)13-26(20)12-15-5-7-17(27-3)8-6-15/h4-8,10,13H,1,9,12H2,2-3H3 |
| InChIKey |
WNEMXBJWXIKQEV-UHFFFAOYSA-N |
| Molecular Weight |
367.400 g/mol |
| SMILES |
c12[n](cc(c2c(C(F)(F)CC=C)cc(n1)C)C#N)Cc1ccc(cc1)OC |
| SPLASH |
splash10-00di-0903000000-8f13621d926159b4fe08 |
| Source of Spectrum |
F-67-5673-13f |
| Wiley ID |
1687207 |
![4-(1,1-Difluorobut-3-enyl)-6-methyl-1-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile](/api/spectrum/85wcAMxXPqH/structure.png?h=300&w=458 "4-(1,1-Difluorobut-3-enyl)-6-methyl-1-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile")
