| SpectraBase Spectrum ID |
7HZ0AQY8vqb |
| Name |
Sebacic acid, isobutyl 3-nitrophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.199487652 u |
| Formula |
C20H29NO6 |
| InChI |
InChI=1S/C20H29NO6/c1-16(2)15-26-19(22)12-7-5-3-4-6-8-13-20(23)27-18-11-9-10-17(14-18)21(24)25/h9-11,14,16H,3-8,12-13,15H2,1-2H3 |
| InChIKey |
OROMGPQQXKVYFZ-UHFFFAOYSA-N |
| Molecular Weight |
379.453 g/mol |
| SMILES |
C(CCCCCC(OC1=CC=CC(=C1)N(=O)=O)=O)CCC(OCC(C)C)=O |
