| SpectraBase Compound ID | 7eXTyAXNARf |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13)/t7-,9-/m1/s1 |
| InChIKey | JWISPMMVFLKFMW-VXNVDRBHSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbZlAfYkkwB |
|---|---|
| Name | (2R,3R)-2-Methyl-3-oxidanyl-3-phenyl-propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13)/t7-,9-/m1/s1 |
| InChIKey | JWISPMMVFLKFMW-VXNVDRBHSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C([C@@]([C@](C=1C=CC=CC1)(O)[H])(C)[H])(=O)O |