| SpectraBase Spectrum ID |
7fOj7gT6XPT |
| Name |
Sebacic acid, ethyl 3-methoxy-4-nitrobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.194402271 u |
| Formula |
C20H29NO7 |
| InChI |
InChI=1S/C20H29NO7/c1-3-27-19(22)10-8-6-4-5-7-9-11-20(23)28-15-16-12-13-17(21(24)25)18(14-16)26-2/h12-14H,3-11,15H2,1-2H3 |
| InChIKey |
RUICCFHXEWCEGL-UHFFFAOYSA-N |
| Molecular Weight |
395.452 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCC1=CC(=C(C=C1)N(=O)=O)OC)=O |
