| SpectraBase Compound ID | IoXsv8EA1DP |
|---|---|
| InChI | InChI=1S/C18H24O6/c1-10(2)16(19)22-13-7-8-14(23-17(20)11(3)4)15(9-13)24-18(21)12(5)6/h7-12H,1-6H3 |
| InChIKey | CXIFKRAQNMMUMD-UHFFFAOYSA-N |
| Mol Weight | 336.38 g/mol |
| Molecular Formula | C18H24O6 |
| Exact Mass | 336.157288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4Df5KxfJDZ |
|---|---|
| Name | 1,2,4-Benzenetriol, tris(2-methylpropionate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.157288487 u |
| Formula | C18H24O6 |
| InChI | InChI=1S/C18H24O6/c1-10(2)16(19)22-13-7-8-14(23-17(20)11(3)4)15(9-13)24-18(21)12(5)6/h7-12H,1-6H3 |
| InChIKey | CXIFKRAQNMMUMD-UHFFFAOYSA-N |
| Molecular Weight | 336.384 g/mol |
| SMILES | C1(OC(C(C)C)=O)=C(OC(C(C)C)=O)C=CC(=C1)OC(C(C)C)=O |