| SpectraBase Spectrum ID |
HYqdi2RyL0x |
| Name |
5-Hexynoic acid, 6-[2-(1-octynyl)phenyl]-, methyl ester |
| CAS Registry Number |
107586-25-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O2 |
| InChI |
InChI=1S/C21H26O2/c1-3-4-5-6-7-9-14-19-16-12-13-17-20(19)15-10-8-11-18-21(22)23-2/h12-13,16-17H,3-8,11,18H2,1-2H3 |
| InChIKey |
GTKXRKLUVQTDRN-UHFFFAOYSA-N |
| Molecular Weight |
310.437 g/mol |
| SMILES |
C(#CCCCC(=O)OC)c1c(C#CCCCCCC)cccc1 |
| SPLASH |
splash10-014i-0900000000-ee17e26820cd4cef20ca |
| Source of Spectrum |
KC-1989-481-25 |
| Synonyms |
Methyl 6-[2-(1-octynyl)phenyl]-5-hexynoate
Methyl 6-[2-(oct-1-ynyl)phenyl]hex-5-ynoate
6-(2-oct-1-ynylphenyl)-5-hexynoic acid methyl ester
Methyl 6-(2-oct-1-ynylphenyl)hex-5-ynoate |
| Wiley ID |
1312036 |
![5-Hexynoic acid, 6-[2-(1-octynyl)phenyl]-, methyl ester](/api/spectrum/HYqdi2RyL0x/structure.png?h=300&w=458 "5-Hexynoic acid, 6-[2-(1-octynyl)phenyl]-, methyl ester")
