SpectraBase Spectrum ID |
5y4xyFA2Ott |
Name |
Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isobutyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
356.198759378 u |
Formula |
C22H28O4 |
InChI |
InChI=1S/C22H28O4/c1-15(2)11-12-18(13-16(3)4)26-22(24)20-10-8-7-9-19(20)21(23)25-14-17(5)6/h7-10,16-18H,1,13-14H2,2-6H3 |
InChIKey |
AFAKVBWGAFOEQH-UHFFFAOYSA-N |
Molecular Weight |
356.462 g/mol |
SMILES |
CC(COC(C1=C(C=CC=C1)C(OC(CC(C)C)C#CC(C)=C)=O)=O)C |