| SpectraBase Spectrum ID |
5IcrYcHxvRE |
| Name |
2- (Isopropylthio)-5-[(4-nitrophenyl)ethyny]bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H19NO2S |
| InChI |
InChI=1S/C22H19NO2S/c1-16(2)26-22-14-11-18(19-5-3-4-6-20(22)15-19)10-7-17-8-12-21(13-9-17)23(24)25/h3-6,8-9,11-14,16H,15H2,1-2H3 |
| InChIKey |
RBZQMSZGZXJYAP-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/hlca.19970800113 |
| Molecular Weight |
361.459 g/mol |
| SMILES |
C12=C(C=CC(=C(C=CC=C2)C1)C#Cc1ccc(cc1)[N+](=O)[O-])SC(C)C |
| SPLASH |
splash10-029i-1079000000-9b1489c085c2e9eddad7 |
| Source of Spectrum |
H-80-138-14c |
| Synonyms |
isopropyl(5-((4-nitrophenyl)ethynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-2-yl)sulfane |
| Wiley ID |
1785273 |
![2- (Isopropylthio)-5-[(4-nitrophenyl)ethyny]bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene](/api/spectrum/5IcrYcHxvRE/structure.png?h=300&w=458 "2- (Isopropylthio)-5-[(4-nitrophenyl)ethyny]bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene")
