| SpectraBase Compound ID | 9e5q5OUN5EY |
|---|---|
| InChI | InChI=1S/C19H22O4/c1-4-8-17(20)22-16-12-13(3)19(23-18(21)9-5-2)15-11-7-6-10-14(15)16/h6-7,10-12H,4-5,8-9H2,1-3H3 |
| InChIKey | TUWJQNVAGYRRHA-UHFFFAOYSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C19H22O4 |
| Exact Mass | 314.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20yrYssTlqO |
|---|---|
| Name | Menadioldibutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.151809184 u |
| Formula | C19H22O4 |
| InChI | InChI=1S/C19H22O4/c1-4-8-17(20)22-16-12-13(3)19(23-18(21)9-5-2)15-11-7-6-10-14(15)16/h6-7,10-12H,4-5,8-9H2,1-3H3 |
| InChIKey | TUWJQNVAGYRRHA-UHFFFAOYSA-N |
| Molecular Weight | 314.381 g/mol |
| SMILES | C=12C(C(=CC(=C2OC(CCC)=O)C)OC(CCC)=O)=CC=CC1 |