| SpectraBase Spectrum ID |
I503bPWeZqf |
| Name |
Glutaric acid, 2-methylhex-3-yl 3-nitro-4-methoxybenzyl 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/c1-5-7-17(14(2)3)28-20(23)9-6-8-19(22)27-13-15-10-11-18(26-4)16(12-15)21(24)25/h10-12,14,17H,5-9,13H2,1-4H3 |
| InChIKey |
SBRDMBLPEXVPEJ-UHFFFAOYSA-N |
| Molecular Weight |
395.452 g/mol |
| SMILES |
C(OCC1=CC=C(C(=C1)N(=O)=O)OC)(=O)CCCC(OC(CCC)C(C)C)=O |
