| SpectraBase Compound ID | 84Juvx0xckJ |
|---|---|
| InChI | InChI=1S/C13H15NO4/c15-13(9-12-3-1-2-8-18-12)10-4-6-11(7-5-10)14(16)17/h1,3-7,12-13,15H,2,8-9H2 |
| InChIKey | FHSJNJZNBYHYEK-UHFFFAOYSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C13H15NO4 |
| Exact Mass | 249.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfgU1r4Tjvi |
|---|---|
| Name | 2-(5,6-Dihydro-2H-pyran-2-yl)-1-(4-nitrophenyl)ethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.100107963 u |
| Formula | C13H15NO4 |
| InChI | InChI=1S/C13H15NO4/c15-13(9-12-3-1-2-8-18-12)10-4-6-11(7-5-10)14(16)17/h1,3-7,12-13,15H,2,8-9H2 |
| InChIKey | FHSJNJZNBYHYEK-UHFFFAOYSA-N |
| Molecular Weight | 249.266 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C(CC2OCCC=C2)O)C=C1 |