| SpectraBase Compound ID | E7Hk0opE5Ri |
|---|---|
| InChI | InChI=1S/C18H31ClO4/c1-3-4-5-8-14(2)23-18(21)12-11-17(20)22-13-15-9-6-7-10-16(15)19/h14-16H,3-13H2,1-2H3 |
| InChIKey | YTQIMVBLULCHJJ-UHFFFAOYSA-N |
| Mol Weight | 346.9 g/mol |
| Molecular Formula | C18H31ClO4 |
| Exact Mass | 346.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FmUomjVOo5z |
|---|---|
| Name | Succinic acid, hept-2-yl (2-chlorocyclohexyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.191087174 u |
| Formula | C18H31ClO4 |
| InChI | InChI=1S/C18H31ClO4/c1-3-4-5-8-14(2)23-18(21)12-11-17(20)22-13-15-9-6-7-10-16(15)19/h14-16H,3-13H2,1-2H3 |
| InChIKey | YTQIMVBLULCHJJ-UHFFFAOYSA-N |
| Molecular Weight | 346.895 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OCC1CCCCC1Cl)=O |