| SpectraBase Spectrum ID |
HXxIBiYQHoL |
| Name |
Glutaric acid, dodecyl 3-methyl-2-nitrobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.277737974 u |
| Formula |
C25H39NO6 |
| InChI |
InChI=1S/C25H39NO6/c1-3-4-5-6-7-8-9-10-11-12-19-31-23(27)17-14-18-24(28)32-20-22-16-13-15-21(2)25(22)26(29)30/h13,15-16H,3-12,14,17-20H2,1-2H3 |
| InChIKey |
OTYIZIIDOXBMPB-UHFFFAOYSA-N |
| Molecular Weight |
449.588 g/mol |
| SMILES |
C(OCC1=C(C(C)=CC=C1)N(=O)=O)(=O)CCCC(OCCCCCCCCCCCC)=O |
