| SpectraBase Compound ID | 9g1WWTHH96f |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-13-8-9-18(21-14(2)20)17(12-13)16(10-11-19)15-6-4-3-5-7-15/h3-9,11-12,16H,10H2,1-2H3/t16-/m1/s1 |
| InChIKey | XEARCSKGVPOCMZ-MRXNPFEDSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMjyfeUyHy |
|---|---|
| Name | Acetic acid 4-methyl-2-((R)-3-oxo-1-phenyl-propyl)-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-13-8-9-18(21-14(2)20)17(12-13)16(10-11-19)15-6-4-3-5-7-15/h3-9,11-12,16H,10H2,1-2H3/t16-/m1/s1 |
| InChIKey | XEARCSKGVPOCMZ-MRXNPFEDSA-N |
| SMILES | C=1(C(OC(=O)C)=CC=C(C1)C)[C@@](C=1C=CC=CC1)(CC=O)[H] |