SpectraBase Spectrum ID |
L7AKSYgRsmZ |
Name |
Phthalic acid, 2-methylbenzyl nonyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
396.230059506 u |
Formula |
C25H32O4 |
InChI |
InChI=1S/C25H32O4/c1-3-4-5-6-7-8-13-18-28-24(26)22-16-11-12-17-23(22)25(27)29-19-21-15-10-9-14-20(21)2/h9-12,14-17H,3-8,13,18-19H2,1-2H3 |
InChIKey |
IYAJXIOTPDVLHK-UHFFFAOYSA-N |
Molecular Weight |
396.527 g/mol |
SMILES |
C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCCCCCCC |