| SpectraBase Compound ID | AlCujKn9nCR |
|---|---|
| InChI | InChI=1S/C16H21NO7/c1-3-4-9-23-15(18)7-8-16(19)24-11-12-5-6-14(22-2)13(10-12)17(20)21/h5-6,10H,3-4,7-9,11H2,1-2H3 |
| InChIKey | VMJMDLYUJGLDEJ-UHFFFAOYSA-N |
| Mol Weight | 339.34 g/mol |
| Molecular Formula | C16H21NO7 |
| Exact Mass | 339.131802 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3u2koZIHeti |
|---|---|
| Name | Succinic acid, butyl 4-methoxy-3-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.131802013 u |
| Formula | C16H21NO7 |
| InChI | InChI=1S/C16H21NO7/c1-3-4-9-23-15(18)7-8-16(19)24-11-12-5-6-14(22-2)13(10-12)17(20)21/h5-6,10H,3-4,7-9,11H2,1-2H3 |
| InChIKey | VMJMDLYUJGLDEJ-UHFFFAOYSA-N |
| Molecular Weight | 339.344 g/mol |
| SMILES | C(CCC(OCC1=CC(=C(C=C1)OC)N(=O)=O)=O)(OCCCC)=O |