| SpectraBase Compound ID | EclKEGgetmt |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-11(2)9-22-15(18)6-7-16(19)23-10-13-4-5-14(17(20)21)12(3)8-13/h4-5,8,11H,6-7,9-10H2,1-3H3 |
| InChIKey | AYLNQQFQYJFZRM-UHFFFAOYSA-N |
| Mol Weight | 323.35 g/mol |
| Molecular Formula | C16H21NO6 |
| Exact Mass | 323.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 62IJm52Wn0C |
|---|---|
| Name | Succinic acid, isobutyl 3-methyl-4-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.136887394 u |
| Formula | C16H21NO6 |
| InChI | InChI=1S/C16H21NO6/c1-11(2)9-22-15(18)6-7-16(19)23-10-13-4-5-14(17(20)21)12(3)8-13/h4-5,8,11H,6-7,9-10H2,1-3H3 |
| InChIKey | AYLNQQFQYJFZRM-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C(CCC(OCC1=CC=C(C(=C1)C)N(=O)=O)=O)(OCC(C)C)=O |