![(+-)((3S,6S)-6-phenyl-3,6-dihydro-[1,2]dioxin-3-yl)acetic acid](/api/spectrum/5aXOgyknEZx/structure.png?h=300&w=458 "(+-)((3S,6S)-6-phenyl-3,6-dihydro-[1,2]dioxin-3-yl)acetic acid")
| SpectraBase Compound ID | 1AMma2gt9QL |
|---|---|
| InChI | InChI=1S/C12H12O4/c13-12(14)8-10-6-7-11(16-15-10)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,13,14)/t10-,11+/m1/s1 |
| InChIKey | RXBPDWSMHLFZMW-MNOVXSKESA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5aXOgyknEZx |
|---|---|
| Name | (+-)((3S,6S)-6-phenyl-3,6-dihydro-[1,2]dioxin-3-yl)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c13-12(14)8-10-6-7-11(16-15-10)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,13,14)/t10-,11+/m1/s1 |
| InChIKey | RXBPDWSMHLFZMW-MNOVXSKESA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | [C@@]1(OO[C@@](C=C1)(C1=CC=CC=C1)[H])(CC(=O)O)[H] |