| SpectraBase Compound ID | Alv7LeQcxKm |
|---|---|
| InChI | InChI=1S/C14H18O/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12H,7-9H2,1-2H3 |
| InChIKey | ICADQKCRWNJHBN-UHFFFAOYSA-N |
| Mol Weight | 202.3 g/mol |
| Molecular Formula | C14H18O |
| Exact Mass | 202.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxvdmhfogaA |
|---|---|
| Name | 2-Isobutyl-3,4-dihydronaphthalen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.135765199 u |
| Formula | C14H18O |
| InChI | InChI=1S/C14H18O/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12H,7-9H2,1-2H3 |
| InChIKey | ICADQKCRWNJHBN-UHFFFAOYSA-N |
| Molecular Weight | 202.297 g/mol |
| SMILES | C1(C2=C(C=CC=C2)CCC1CC(C)C)=O |