| SpectraBase Spectrum ID |
GYq6eWhv9F4 |
| Name |
Phthalic acid, isobutyl 3-methoxy-4-nitrobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.131802013 u |
| Formula |
C20H21NO7 |
| InChI |
InChI=1S/C20H21NO7/c1-13(2)11-27-19(22)15-6-4-5-7-16(15)20(23)28-12-14-8-9-17(21(24)25)18(10-14)26-3/h4-10,13H,11-12H2,1-3H3 |
| InChIKey |
ICMIQBBNDRPXAC-UHFFFAOYSA-N |
| Molecular Weight |
387.388 g/mol |
| SMILES |
C(C1=CC=CC=C1C(=O)OCC1=CC(=C(C=C1)N(=O)=O)OC)(OCC(C)C)=O |
