![1-Hydroxy-1-[3,4-(methylenedioxy)phenyl]-2-butanone](/api/spectrum/EZdJyyEyQCg/structure.png?h=300&w=458 "1-Hydroxy-1-[3,4-(methylenedioxy)phenyl]-2-butanone")
| SpectraBase Compound ID | CXf1FBdA2TI |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-2-8(12)11(13)7-3-4-9-10(5-7)15-6-14-9/h3-5,11,13H,2,6H2,1H3 |
| InChIKey | NPVCMHYBDJPVRB-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZdJyyEyQCg |
|---|---|
| Name | 1-Hydroxy-1-[3,4-(methylenedioxy)phenyl]-2-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-2-8(12)11(13)7-3-4-9-10(5-7)15-6-14-9/h3-5,11,13H,2,6H2,1H3 |
| InChIKey | NPVCMHYBDJPVRB-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C=1(C=C2OCOC2=CC1)C(C(=O)CC)O |