| SpectraBase Compound ID | LwHMP3Uf6wm |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13/h2-11,15-16,18H,1H3 |
| InChIKey | MIEQNLYINCRPLW-UHFFFAOYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIuQo1erRcs |
|---|---|
| Name | (S,S)-(-)-hydrobenzoin, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13/h2-11,15-16,18H,1H3 |
| InChIKey | MIEQNLYINCRPLW-UHFFFAOYSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C(C(O)C1=CC=CC=C1)(OC(C)=O)C1=CC=CC=C1 |