| SpectraBase Compound ID | FaAXtAV6Vfq |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-3-4-5-10-23-16(19)8-9-17(20)24-12-14-7-6-13(2)15(11-14)18(21)22/h6-7,11H,3-5,8-10,12H2,1-2H3 |
| InChIKey | QDJKWQXGXNYSKB-UHFFFAOYSA-N |
| Mol Weight | 337.37 g/mol |
| Molecular Formula | C17H23NO6 |
| Exact Mass | 337.152537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KY41oN7vkIc |
|---|---|
| Name | Succinic acid, 4-methyl-3-nitrobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.152537459 u |
| Formula | C17H23NO6 |
| InChI | InChI=1S/C17H23NO6/c1-3-4-5-10-23-16(19)8-9-17(20)24-12-14-7-6-13(2)15(11-14)18(21)22/h6-7,11H,3-5,8-10,12H2,1-2H3 |
| InChIKey | QDJKWQXGXNYSKB-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C(CCC(OCC=1C=C(C(=CC1)C)N(=O)=O)=O)(OCCCCC)=O |