| SpectraBase Spectrum ID |
3ZSmh8MpHgq |
| Name |
Terephthalic acid, heptyl 2-nitro-3-methylbenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.183837587 u |
| Formula |
C23H27NO6 |
| InChI |
InChI=1S/C23H27NO6/c1-3-4-5-6-7-15-29-22(25)18-11-13-19(14-12-18)23(26)30-16-20-10-8-9-17(2)21(20)24(27)28/h8-14H,3-7,15-16H2,1-2H3 |
| InChIKey |
NIBKLAKXUKDWNW-UHFFFAOYSA-N |
| Molecular Weight |
413.470 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCCCC)=O)C(=O)OCC1=C(C(C)=CC=C1)N(=O)=O |
