![Spiro[2H-1-benzopyran-2,1'-cyclopentane], 6-methyl-](/api/spectrum/4n4Rue7I7JO/structure.png?h=300&w=458 "Spiro[2H-1-benzopyran-2,1'-cyclopentane], 6-methyl-")
| SpectraBase Compound ID | 3iftMcpKa5y |
|---|---|
| InChI | InChI=1S/C14H16O/c1-11-4-5-13-12(10-11)6-9-14(15-13)7-2-3-8-14/h4-6,9-10H,2-3,7-8H2,1H3 |
| InChIKey | QOURMYZVHBZNSN-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C14H16O |
| Exact Mass | 200.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4n4Rue7I7JO |
|---|---|
| Name | Spiro[2H-1-benzopyran-2,1'-cyclopentane], 6-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.120115134 u |
| Formula | C14H16O |
| InChI | InChI=1S/C14H16O/c1-11-4-5-13-12(10-11)6-9-14(15-13)7-2-3-8-14/h4-6,9-10H,2-3,7-8H2,1H3 |
| InChIKey | QOURMYZVHBZNSN-UHFFFAOYSA-N |
| Molecular Weight | 200.281 g/mol |
| SMILES | C=12OC3(C=CC2=CC(=CC1)C)CCCC3 |