| SpectraBase Compound ID | FI01xaX1BgP |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-12(2)13(3,4)18-11(17-12)9-6-5-7-10(8-9)14(15)16/h5-8,11H,1-4H3 |
| InChIKey | PERUSFDZTABZDR-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISALoDqlfG2 |
|---|---|
| Name | 4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3-dioxolane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-12(2)13(3,4)18-11(17-12)9-6-5-7-10(8-9)14(15)16/h5-8,11H,1-4H3 |
| InChIKey | PERUSFDZTABZDR-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | C1(N(=O)=O)=CC(C2OC(C)(C)C(O2)(C)C)=CC=C1 |