| SpectraBase Compound ID | 2U8lJgtDlEe |
|---|---|
| InChI | InChI=1S/C17H22ClNO6/c1-2-3-4-5-10-24-16(20)8-9-17(21)25-12-13-6-7-14(18)11-15(13)19(22)23/h6-7,11H,2-5,8-10,12H2,1H3 |
| InChIKey | YOPFARBQHXDRJG-UHFFFAOYSA-N |
| Mol Weight | 371.82 g/mol |
| Molecular Formula | C17H22ClNO6 |
| Exact Mass | 371.113565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bP9Wb4qOAF |
|---|---|
| Name | Succinic acid, 4-chloro-2-nitrobenzyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.113565126 u |
| Formula | C17H22ClNO6 |
| InChI | InChI=1S/C17H22ClNO6/c1-2-3-4-5-10-24-16(20)8-9-17(21)25-12-13-6-7-14(18)11-15(13)19(22)23/h6-7,11H,2-5,8-10,12H2,1H3 |
| InChIKey | YOPFARBQHXDRJG-UHFFFAOYSA-N |
| Molecular Weight | 371.817 g/mol |
| SMILES | C(CCC(OCC1=CC=C(C=C1N(=O)=O)Cl)=O)(OCCCCCC)=O |