| SpectraBase Compound ID | CEHn50Gmk4x |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3 |
| InChIKey | HJXMNVQARNZTEE-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mNUGsbPdsD |
|---|---|
| Name | 3-Butylisobenzofuran-1(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3 |
| InChIKey | HJXMNVQARNZTEE-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C1(OC(CCCC)C2=C1C=CC=C2)=O |