| SpectraBase Spectrum ID |
KaUu6aSmxEy |
| Name |
Propanedioic acid, [4-[2-(1-octynyl)phenyl]-3-butynyl]-, 1,1-dimethylethyl ethyl ester |
| Alternate Name(s) |
1-tert-Butyl 3-ethyl 2-{4-[2-(1-octynyl)phenyl]-3-butynyl}malonate
2-{4-[2-(oct-1-ynyl)phenyl]but-3-ynyl}-malonate |
| CAS Registry Number |
107586-23-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O4 |
| InChI |
InChI=1S/C27H36O4/c1-6-8-9-10-11-12-17-22-18-13-14-19-23(22)20-15-16-21-24(25(28)30-7-2)26(29)31-27(3,4)5/h13-14,18-19,24H,6-11,16,21H2,1-5H3 |
| InChIKey |
PEDHNGFUTFFEQB-UHFFFAOYSA-N |
| Molecular Weight |
424.581 g/mol |
| SMILES |
C(C(C(=O)OCC)CCC#Cc1c(C#CCCCCCC)cccc1)(OC(C)(C)C)=O |
| SPLASH |
splash10-0a4i-6941000000-2e68f040fa2b7d535cc8 |
| Source of Spectrum |
KC-1989-481-32 |
| Wiley ID |
1379424 |
![Propanedioic acid, [4-[2-(1-octynyl)phenyl]-3-butynyl]-, 1,1-dimethylethyl ethyl ester](/api/spectrum/KaUu6aSmxEy/structure.png?h=300&w=458 "Propanedioic acid, [4-[2-(1-octynyl)phenyl]-3-butynyl]-, 1,1-dimethylethyl ethyl ester")
