| SpectraBase Spectrum ID |
JTGAWrwKboU |
| Name |
Glutaric acid, dec-2-yl 3-nitrobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.230787781 u |
| Formula |
C22H33NO6 |
| InChI |
InChI=1S/C22H33NO6/c1-3-4-5-6-7-8-11-18(2)29-22(25)15-10-14-21(24)28-17-19-12-9-13-20(16-19)23(26)27/h9,12-13,16,18H,3-8,10-11,14-15,17H2,1-2H3 |
| InChIKey |
QHBIEDHUVLHBPH-UHFFFAOYSA-N |
| Molecular Weight |
407.507 g/mol |
| SMILES |
C(CCC(OC(CCCCCCCC)C)=O)C(OCC=1C=CC=C(N(=O)=O)C1)=O |
