| SpectraBase Compound ID | Gv4ERmAFA3t |
|---|---|
| InChI | InChI=1S/C18H16O3/c1-12-15-9-8-14(20-2)11-17(15)21-18(19)16(12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3 |
| InChIKey | ZZXFRUSCRFOHKW-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Khm3n5zCywq |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 7-methoxy-4-methyl-3-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.109944372 u |
| Formula | C18H16O3 |
| InChI | InChI=1S/C18H16O3/c1-12-15-9-8-14(20-2)11-17(15)21-18(19)16(12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3 |
| InChIKey | ZZXFRUSCRFOHKW-UHFFFAOYSA-N |
| SMILES | C=1(C(OC2=C(C1C)C=CC(OC)=C2)=O)CC1=CC=CC=C1 |