| SpectraBase Spectrum ID |
3RaImJyJ8A |
| Name |
1-ethynyl-6-[(E)-2-[(E)-2-(6-ethynylcyclohepta-1,3,5-trien-1-yl)ethenyl]sulfanylethenyl]cyclohepta-1,3,5-triene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18S |
| InChI |
InChI=1S/C22H18S/c1-3-19-9-5-7-11-21(17-19)13-15-23-16-14-22-12-8-6-10-20(4-2)18-22/h1-2,5-16H,17-18H2/b15-13+,16-14+ |
| InChIKey |
SQWPWNHTTOIODX-WXUKJITCSA-N |
| Molecular Weight |
314.446 g/mol |
| SMILES |
C(#C)C1=CC=CC=C(C1)\C=C\S\C=C\C1=CC=CC=C(C#C)C1 |
| SPLASH |
splash10-00di-0903000000-0844cc6279d6f879a6d1 |
| Source of Spectrum |
PS-0-2760-9 |
| Synonyms |
1-ethynyl-6-[(E)-2-[(E)-2-(6-ethynylcyclohepta-1,3,5-trien-1-yl)vinyl]sulfanylvinyl]cyclohepta-1,3,5-triene
1-ethynyl-6-[(E)-2-[[(E)-2-(6-ethynyl-1-cyclohepta-1,3,5-trienyl)ethenyl]thio]ethenyl]cyclohepta-1,3,5-triene
1-ethynyl-6-[(E)-2-[[(E)-2-(6-ethynylcyclohepta-1,3,5-trien-1-yl)vinyl]thio]vinyl]cyclohepta-1,3,5-triene |
| Wiley ID |
786825 |
![1-ethynyl-6-[(E)-2-[(E)-2-(6-ethynylcyclohepta-1,3,5-trien-1-yl)ethenyl]sulfanylethenyl]cyclohepta-1,3,5-triene](/api/spectrum/3RaImJyJ8A/structure.png?h=300&w=458 "1-ethynyl-6-[(E)-2-[(E)-2-(6-ethynylcyclohepta-1,3,5-trien-1-yl)ethenyl]sulfanylethenyl]cyclohepta-1,3,5-triene")
