| SpectraBase Compound ID | 1zKil44qt5S |
|---|---|
| InChI | InChI=1S/C17H23NO7/c1-3-4-5-10-24-16(19)8-9-17(20)25-12-13-6-7-14(18(21)22)15(11-13)23-2/h6-7,11H,3-5,8-10,12H2,1-2H3 |
| InChIKey | YDMCDPRWIKAGGD-UHFFFAOYSA-N |
| Mol Weight | 353.37 g/mol |
| Molecular Formula | C17H23NO7 |
| Exact Mass | 353.147452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JuIEzvCL7hm |
|---|---|
| Name | Succinic acid, 3-methoxy-4-nitrobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.147452078 u |
| Formula | C17H23NO7 |
| InChI | InChI=1S/C17H23NO7/c1-3-4-5-10-24-16(19)8-9-17(20)25-12-13-6-7-14(18(21)22)15(11-13)23-2/h6-7,11H,3-5,8-10,12H2,1-2H3 |
| InChIKey | YDMCDPRWIKAGGD-UHFFFAOYSA-N |
| Molecular Weight | 353.371 g/mol |
| SMILES | C(CCC(OCC=1C=C(C(=CC1)N(=O)=O)OC)=O)(OCCCCC)=O |