| SpectraBase Compound ID | 1FpnC8VoNy8 |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-2-3-6-10-9-13(14)15-12-8-5-4-7-11(10)12/h4-5,7-8,10H,2-3,6,9H2,1H3 |
| InChIKey | AGPPDVJEVKETSL-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmefCTlptRG |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 4-butyl-3,4-dihydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-2-3-6-10-9-13(14)15-12-8-5-4-7-11(10)12/h4-5,7-8,10H,2-3,6,9H2,1H3 |
| InChIKey | AGPPDVJEVKETSL-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1(OC2=C(C(C1)CCCC)C=CC=C2)=O |