SpectraBase Spectrum ID |
5Hfps0pKXpV |
Name |
Isophthalic acid, decyl 3-phenylpropyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
424.261359635 u |
Formula |
C27H36O4 |
InChI |
InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-12-20-30-26(28)24-18-13-19-25(22-24)27(29)31-21-14-17-23-15-10-9-11-16-23/h9-11,13,15-16,18-19,22H,2-8,12,14,17,20-21H2,1H3 |
InChIKey |
JCAYKSCPHVYNKP-UHFFFAOYSA-N |
Molecular Weight |
424.581 g/mol |
SMILES |
C(COC(C1=CC(=CC=C1)C(OCCCCCCCCCC)=O)=O)CC1=CC=CC=C1 |