| SpectraBase Spectrum ID |
3kjldOcj8m |
| Name |
Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.230059506 u |
| Formula |
C24H32O4 |
| InChI |
InChI=1S/C24H32O4/c1-6-8-9-16-27-23(25)20-12-10-13-21(17-20)24(26)28-22(15-14-18(3)4)19(5)11-7-2/h10,12-13,17,19,22H,3,6-9,11,16H2,1-2,4-5H3 |
| InChIKey |
IWBWKQOPLDEECG-UHFFFAOYSA-N |
| Molecular Weight |
384.516 g/mol |
| SMILES |
C(C(OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O)C#CC(=C)C)(CCC)C |
