| SpectraBase Compound ID | 9D0E3UdynFn |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-5-10-15(17)19-13-8-7-9-14(12-13)20-16(18)11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3 |
| InChIKey | DNUFITILCDUKED-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Gte2sM0KSb |
|---|---|
| Name | 1,3-Benzenediol, o,o'-divaleryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-3-5-10-15(17)19-13-8-7-9-14(12-13)20-16(18)11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3 |
| InChIKey | DNUFITILCDUKED-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(CCCC)=O)OC(=O)CCCC |