![4-[(2'-Propanoyl)methyl]chromanone](/api/spectrum/GM3e9s8Xde/structure.png?h=300&w=458 "4-[(2'-Propanoyl)methyl]chromanone")
| SpectraBase Compound ID | 2oUVMwk3nAd |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-9(2)12(15)7-10-8-14(16)17-13-6-4-3-5-11(10)13/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | IJMHEGPLZRHRDY-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GM3e9s8Xde |
|---|---|
| Name | 4-[(2'-Propanoyl)methyl]chromanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.109944372 u |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-9(2)12(15)7-10-8-14(16)17-13-6-4-3-5-11(10)13/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | IJMHEGPLZRHRDY-UHFFFAOYSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C1(C=2C(=CC=CC2)OC(C1)=O)CC(=O)C(C)C |