| SpectraBase Spectrum ID |
2NKZHEWmMJE |
| Name |
5-[(1E,3E,5E)-6-(1,3-benzodioxol-5-yl)hexa-1,3,5-trienyl]-3-(methylthio)-1H-pyrazole |
| Alternate Name(s) |
5-[(1E,3E,5E)-6-(1,3-benzodioxol-5-yl)hexa-1,3,5-trienyl]-3-methylsulfanyl-1H-pyrazole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16N2O2S |
| InChI |
InChI=1S/C17H16N2O2S/c1-22-17-11-14(18-19-17)7-5-3-2-4-6-13-8-9-15-16(10-13)21-12-20-15/h2-11H,12H2,1H3,(H,18,19)/b3-2+,6-4+,7-5+ |
| InChIKey |
COGMWIJKDXVBMC-NYYLHBDNSA-N |
| Molecular Weight |
312.387 g/mol |
| SMILES |
[nH]1nc(cc1SC)\C=C\C=C\C=C\c1cc2OCOc2cc1 |
| SPLASH |
splash10-03di-0009000000-f3a117fe697e56dc2607 |
| Source of Spectrum |
Y-28-1347-8 |
| Wiley ID |
1313221 |
![5-[(1E,3E,5E)-6-(1,3-benzodioxol-5-yl)hexa-1,3,5-trienyl]-3-(methylthio)-1H-pyrazole](/api/spectrum/2NKZHEWmMJE/structure.png?h=300&w=458 "5-[(1E,3E,5E)-6-(1,3-benzodioxol-5-yl)hexa-1,3,5-trienyl]-3-(methylthio)-1H-pyrazole")
