| SpectraBase Compound ID | EleMUsxw6ph |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-4-5-6-7-8-11-14-22-18(20)19(21)24-17-13-10-9-12-16(17)23-15(2)3/h9-10,12-13,15H,4-8,11,14H2,1-3H3 |
| InChIKey | IWYTVJDTFTXFLA-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2um7YgtnwL1 |
|---|---|
| Name | Oxalic acid, 2-isopropoxyphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-4-5-6-7-8-11-14-22-18(20)19(21)24-17-13-10-9-12-16(17)23-15(2)3/h9-10,12-13,15H,4-8,11,14H2,1-3H3 |
| InChIKey | IWYTVJDTFTXFLA-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(OC1=CC=CC=C1OC(C)C)(C(OCCCCCCCC)=O)=O |