| SpectraBase Compound ID | 9pAbbBogAIO |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h6,8,12H,2-5,7,9H2,1H3 |
| InChIKey | LSRBNNXNGNVZQN-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1zPS0qj9UQ |
|---|---|
| Name | 3-Pentyl-4,5-dihydroisobenzofuran-1(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h6,8,12H,2-5,7,9H2,1H3 |
| InChIKey | LSRBNNXNGNVZQN-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C1(OC(CCCCC)C2=C1C=CCC2)=O |