| SpectraBase Spectrum ID |
JVOwTBT1tjE |
| Name |
Sebacic acid, heptyl 3-nitrophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.246437845 u |
| Formula |
C23H35NO6 |
| InChI |
InChI=1S/C23H35NO6/c1-2-3-4-9-12-18-29-22(25)16-10-7-5-6-8-11-17-23(26)30-21-15-13-14-20(19-21)24(27)28/h13-15,19H,2-12,16-18H2,1H3 |
| InChIKey |
JQFHWXXEUWILBJ-UHFFFAOYSA-N |
| Molecular Weight |
421.534 g/mol |
| SMILES |
C(CCCCCC(OC1=CC=CC(=C1)N(=O)=O)=O)CCC(OCCCCCCC)=O |
