| SpectraBase Compound ID | 4mI0r71fWOC |
|---|---|
| InChI | InChI=1S/C18H25NO6/c1-3-4-5-6-12-24-16(20)10-11-17(21)25-13-15-9-7-8-14(2)18(15)19(22)23/h7-9H,3-6,10-13H2,1-2H3 |
| InChIKey | GMFHJDXJHMSXFT-UHFFFAOYSA-N |
| Mol Weight | 351.4 g/mol |
| Molecular Formula | C18H25NO6 |
| Exact Mass | 351.168188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3JwpF2vnJRJ |
|---|---|
| Name | Succinic acid, hexyl 3-methyl-2-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.168187523 u |
| Formula | C18H25NO6 |
| InChI | InChI=1S/C18H25NO6/c1-3-4-5-6-12-24-16(20)10-11-17(21)25-13-15-9-7-8-14(2)18(15)19(22)23/h7-9H,3-6,10-13H2,1-2H3 |
| InChIKey | GMFHJDXJHMSXFT-UHFFFAOYSA-N |
| Molecular Weight | 351.399 g/mol |
| SMILES | C(CCC(OCC1=CC=CC(=C1N(=O)=O)C)=O)(OCCCCCC)=O |