SpectraBase Spectrum ID |
4u2i5ITTf66 |
Name |
Isophthalic acid, 4-isopropylphenyl nonyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
410.245709571 u |
Formula |
C26H34O4 |
InChI |
InChI=1S/C26H34O4/c1-4-5-6-7-8-9-10-18-29-25(27)22-12-11-13-23(19-22)26(28)30-24-16-14-21(15-17-24)20(2)3/h11-17,19-20H,4-10,18H2,1-3H3 |
InChIKey |
MCOKYPUIUFICII-UHFFFAOYSA-N |
Molecular Weight |
410.554 g/mol |
SMILES |
C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O)C(C)C |