| SpectraBase Compound ID | 2UpDMUoGHx3 |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-5-7-13(20-16(17)6-4-2)12-8-9-14-15(10-12)19-11-18-14/h8-10,13H,3-7,11H2,1-2H3 |
| InChIKey | RSPFGQQCNPXIIQ-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 | 68hEC7kh9m |
|---|---|
| Name | 1-Butanoyloxy-1-(3,4-methylenedioxyphenyl)pentane |
| 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/c1-3-5-7-13(20-16(17)6-4-2)12-8-9-14-15(10-12)19-11-18-14/h8-10,13H,3-7,11H2,1-2H3 |
| InChIKey | RSPFGQQCNPXIIQ-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(CCCC)(C=1C=C2C(=CC1)OCO2)OC(CCC)=O |