| SpectraBase Compound ID | 5RCgbWal8q4 |
|---|---|
| InChI | InChI=1S/C11H12O2/c12-10(11-8-13-11)7-6-9-4-2-1-3-5-9/h1-7,10-12H,8H2/b7-6+/t10-,11-/m1/s1 |
| InChIKey | GPUWHYZYOVPDOJ-AFPRHGJPSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PxUx3cWIX3 |
|---|---|
| Name | D-Erythro-pent-1-enitol, 4,5-anhydro-1,2-dideoxy-1-phenyl-, (1E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c12-10(11-8-13-11)7-6-9-4-2-1-3-5-9/h1-7,10-12H,8H2/b7-6+/t10-,11-/m1/s1 |
| InChIKey | GPUWHYZYOVPDOJ-AFPRHGJPSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | [C@@]1(OC1)([C@@](\C=C\C1=CC=CC=C1)(O)[H])[H] |