SpectraBase Spectrum ID |
GGi3WjaViBh |
Name |
Glutaric acid, 3-methyl-4-nitrobenzyl octyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
393.215137716 u |
Formula |
C21H31NO6 |
InChI |
InChI=1S/C21H31NO6/c1-3-4-5-6-7-8-14-27-20(23)10-9-11-21(24)28-16-18-12-13-19(22(25)26)17(2)15-18/h12-13,15H,3-11,14,16H2,1-2H3 |
InChIKey |
NMUYSJUNIWWAQE-UHFFFAOYSA-N |
Molecular Weight |
393.480 g/mol |
SMILES |
C(OCC1=CC=C(C(=C1)C)N(=O)=O)(=O)CCCC(OCCCCCCCC)=O |