| SpectraBase Spectrum ID |
Cyn9TdQ4ioj |
| Name |
4-{3-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-3-oxoprop-1-yn-1-yl}benzonitrile |
| Appearance |
Brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H21NO |
| InChI |
InChI=1S/C25H21NO/c1-16(2)21-11-5-17(3)25-22(14-21)18(4)13-23(25)24(27)12-10-19-6-8-20(15-26)9-7-19/h5-9,11,13-14,16H,1-4H3 |
| InChIKey |
DWVMTCWTEFWZTI-UHFFFAOYSA-N |
| Instrument Name |
Finnigen MAT 200 |
| Ionization Type |
EI+ |
| Literature Reference DOI |
10.3762/bjoc.7.136 |
| Molecular Weight |
351.449 g/mol |
| SMILES |
c12c(c(ccc(c2)C(C)C)C)c(cc1C)C(C#Cc1ccc(cc1)C#N)=O |
| SPLASH |
splash10-0udi-0559000000-015a5790c16dfea91f94 |
| Source of Spectrum |
BJO-7-SM10-3e |
| Wiley ID |
1867033 |
![4-{3-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-3-oxoprop-1-yn-1-yl}benzonitrile](/api/spectrum/Cyn9TdQ4ioj/structure.png?h=300&w=458 "4-{3-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-3-oxoprop-1-yn-1-yl}benzonitrile")
