| SpectraBase Compound ID | JrIyDPtGkGf |
|---|---|
| InChI | InChI=1S/C16H22O2/c1-2-3-4-5-6-7-12-15-13-10-8-9-11-14(13)16(17)18-15/h8-11,15H,2-7,12H2,1H3 |
| InChIKey | MYGRPRSFUHJZPY-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CnBtUVWoOm0 |
|---|---|
| Name | 3-Octyl-1,3-dihydro-1-isobenzofuranone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c1-2-3-4-5-6-7-12-15-13-10-8-9-11-14(13)16(17)18-15/h8-11,15H,2-7,12H2,1H3 |
| InChIKey | MYGRPRSFUHJZPY-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C1(OC(CCCCCCCC)C2=C1C=CC=C2)=O |