| SpectraBase Compound ID | Jgccc0fiGZe |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-3-4-13(14)17-9(2)10-5-6-11-12(7-10)16-8-15-11/h5-7,9H,3-4,8H2,1-2H3 |
| InChIKey | DAAYEWWBRWRXOB-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lfSGXmi6wv |
|---|---|
| Name | 1-Butanoyloxy-1-(3,4-methylenedioxyphenyl)ethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-3-4-13(14)17-9(2)10-5-6-11-12(7-10)16-8-15-11/h5-7,9H,3-4,8H2,1-2H3 |
| InChIKey | DAAYEWWBRWRXOB-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C(C)(C=1C=C2C(=CC1)OCO2)OC(CCC)=O |