| SpectraBase Compound ID | 27vK79fybrZ |
|---|---|
| InChI | InChI=1S/C13H15NO6/c1-13(2)19-8-11(20-13)7-18-12(15)9-3-5-10(6-4-9)14(16)17/h3-6,11H,7-8H2,1-2H3 |
| InChIKey | NKDPWBPFSRNLRK-UHFFFAOYSA-N |
| Mol Weight | 281.26 g/mol |
| Molecular Formula | C13H15NO6 |
| Exact Mass | 281.089937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Cce42fOuAh |
|---|---|
| Name | Benzoic acid, 4-nitro-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.089937201 u |
| Formula | C13H15NO6 |
| InChI | InChI=1S/C13H15NO6/c1-13(2)19-8-11(20-13)7-18-12(15)9-3-5-10(6-4-9)14(16)17/h3-6,11H,7-8H2,1-2H3 |
| InChIKey | NKDPWBPFSRNLRK-UHFFFAOYSA-N |
| SMILES | CC1(OC(COC(C2=CC=C(N(=O)=O)C=C2)=O)CO1)C |