| SpectraBase Spectrum ID |
5fpz3I7iMKQ |
| Name |
4-[(Nitrophenyl)ethynyl]-5-(phenylthio)bicyclo[4.4.1]undeca-1,3,5,7-pentaene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H17NO2S |
| InChI |
InChI=1S/C25H17NO2S/c27-26(28)23-16-12-19(13-17-23)10-14-21-15-11-20-6-4-5-7-22(18-20)25(21)29-24-8-2-1-3-9-24/h1-9,11-13,15-17H,18H2 |
| InChIKey |
OZFNTSCCRCWUPD-UHFFFAOYSA-N |
| Molecular Weight |
395.476 g/mol |
| SMILES |
C1(=C2CC(C=CC=C2)=CC=C1C#Cc1ccc(N(=O)=O)cc1)Sc1ccccc1 |
| SPLASH |
splash10-000j-0098000000-eb2fb30429928f27ed45 |
| Source of Spectrum |
H-80-137-14 |
| Synonyms |
3-[(4-nitrophenyl)ethynyl]-2-(phenylsulfanyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
3-[(4-nitrophenyl)ethynyl]bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-2-yl phenyl sulfide |
| Wiley ID |
1367136 |
![4-[(Nitrophenyl)ethynyl]-5-(phenylthio)bicyclo[4.4.1]undeca-1,3,5,7-pentaene](/api/spectrum/5fpz3I7iMKQ/structure.png?h=300&w=458 "4-[(Nitrophenyl)ethynyl]-5-(phenylthio)bicyclo[4.4.1]undeca-1,3,5,7-pentaene")
