| SpectraBase Compound ID | 8ZYR4klTtpC |
|---|---|
| InChI | InChI=1S/C17H16O2/c1-17(11-13-7-3-2-4-8-13)12-15(18)14-9-5-6-10-16(14)19-17/h2-10H,11-12H2,1H3 |
| InChIKey | LOFDDTZECXDHKK-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C17H16O2 |
| Exact Mass | 252.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcN9XdlO68P |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 2,3-dihydro-2-methyl-2-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.115029753 u |
| Formula | C17H16O2 |
| InChI | InChI=1S/C17H16O2/c1-17(11-13-7-3-2-4-8-13)12-15(18)14-9-5-6-10-16(14)19-17/h2-10H,11-12H2,1H3 |
| InChIKey | LOFDDTZECXDHKK-UHFFFAOYSA-N |
| Molecular Weight | 252.313 g/mol |
| SMILES | C1(CC(OC=2C=CC=CC12)(CC1=CC=CC=C1)C)=O |