SpectraBase Spectrum ID |
91T2uNPoA0d |
Name |
Glutaric acid, 3-methyl-4-nitrobenzyl undecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
435.262087909 u |
Formula |
C24H37NO6 |
InChI |
InChI=1S/C24H37NO6/c1-3-4-5-6-7-8-9-10-11-17-30-23(26)13-12-14-24(27)31-19-21-15-16-22(25(28)29)20(2)18-21/h15-16,18H,3-14,17,19H2,1-2H3 |
InChIKey |
SHNQLXDIORCKBZ-UHFFFAOYSA-N |
Molecular Weight |
435.561 g/mol |
SMILES |
C(OCC1=CC=C(C(=C1)C)N(=O)=O)(=O)CCCC(OCCCCCCCCCCC)=O |