SpectraBase Spectrum ID |
HyvTJOVm0ah |
Name |
Sebacic acid, hexyl 2-nitrophenyl 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/c1-2-3-4-13-18-28-21(24)16-9-7-5-6-8-10-17-22(25)29-20-15-12-11-14-19(20)23(26)27/h11-12,14-15H,2-10,13,16-18H2,1H3 |
InChIKey |
VTRHDDPYSAMAKR-UHFFFAOYSA-N |
Molecular Weight |
407.507 g/mol |
SMILES |
C(CCCCCCCC(OC1=CC=CC=C1N(=O)=O)=O)C(OCCCCCC)=O |