| SpectraBase Compound ID | HDHxxO30lfr |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-4-5-6-9-12-20-16(18)17(19)22-15-11-8-7-10-14(15)21-13(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
| InChIKey | SXHKUBBUWGKUTA-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GpN9ByJhsG |
|---|---|
| Name | Oxalic acid, 2-isopropoxyphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-4-5-6-9-12-20-16(18)17(19)22-15-11-8-7-10-14(15)21-13(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
| InChIKey | SXHKUBBUWGKUTA-UHFFFAOYSA-N |
| SMILES | CCCCCCOC(C(OC1=CC=CC=C1OC(C)C)=O)=O |