SpectraBase Spectrum ID |
KRhqJtvRgs4 |
Name |
Phthalic acid, decyl 3-methyl-2-nitrobenzyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
455.230787781 u |
Formula |
C26H33NO6 |
InChI |
InChI=1S/C26H33NO6/c1-3-4-5-6-7-8-9-12-18-32-25(28)22-16-10-11-17-23(22)26(29)33-19-21-15-13-14-20(2)24(21)27(30)31/h10-11,13-17H,3-9,12,18-19H2,1-2H3 |
InChIKey |
BZHPTXXECODUOU-UHFFFAOYSA-N |
Molecular Weight |
455.551 g/mol |
SMILES |
C1=CC(=C(C=C1)C(=O)OCC=1C=CC=C(C)C1N(=O)=O)C(=O)OCCCCCCCCCC |