| SpectraBase Spectrum ID |
9sEbHzc2VZ2 |
| Name |
3-[(1E,3E,5E)-6-(1,3-Benzodioxol-5-yl)hexa-1,3,5-trienyl]-5-(methylthio)isoxazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.077264518 u |
| Formula |
C17H15NO3S |
| InChI |
InChI=1S/C17H15NO3S/c1-22-17-11-14(18-21-17)7-5-3-2-4-6-13-8-9-15-16(10-13)20-12-19-15/h2-11H,12H2,1H3/b3-2+,6-4+,7-5+ |
| InChIKey |
NUPHASISXKDRNQ-NYYLHBDNSA-N |
| Molecular Weight |
313.371 g/mol |
| SMILES |
C1=C(ON=C1\C=C\C=C\C=C\C=1C=C2OCOC2=CC1)SC |
![3-[(1E,3E,5E)-6-(1,3-benzodioxol-5-yl)hexa-1,3,5-trienyl]-5-(methylthio)isoxazole](/api/spectrum/9sEbHzc2VZ2/structure.png?h=300&w=458 "3-[(1E,3E,5E)-6-(1,3-benzodioxol-5-yl)hexa-1,3,5-trienyl]-5-(methylthio)isoxazole")
