| SpectraBase Spectrum ID |
8mRdrA75csZ |
| Name |
3-(methylthio)-5-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]-1H-pyrazole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16N2S |
| InChI |
InChI=1S/C16H16N2S/c1-19-16-13-15(17-18-16)12-8-3-2-5-9-14-10-6-4-7-11-14/h2-13H,1H3,(H,17,18)/b3-2+,9-5+,12-8+ |
| InChIKey |
DLWFOTVDQWJCAL-PMHXHJSWSA-N |
| Molecular Weight |
268.378 g/mol |
| SMILES |
[nH]1nc(cc1SC)\C=C\C=C\C=C\c1ccccc1 |
| SPLASH |
splash10-014i-0090000000-cb5160f5227ef5d40613 |
| Source of Spectrum |
Y-28-1347-8 |
| Synonyms |
3-methylsulfanyl-5-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]-1H-pyrazole |
| Wiley ID |
1272377 |
