| SpectraBase Compound ID | 6EYVWZnCBNI |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-18-16(17)15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3 |
| InChIKey | OUJYRAJMMUMWSQ-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PSl1rTas4b |
|---|---|
| Name | 2,3-Diphenylpropanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c1-18-16(17)15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3 |
| InChIKey | OUJYRAJMMUMWSQ-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C(C(CC=1C=CC=CC1)C=1C=CC=CC1)(=O)OC |