| SpectraBase Compound ID | CoFBMJiFTCL |
|---|---|
| InChI | InChI=1S/C12H17NO5/c1-3-17-11-6-5-9(7-12(11)18-4-2)10(14)8-13(15)16/h5-7,10,14H,3-4,8H2,1-2H3 |
| InChIKey | GLOGSVOPMKZAKV-UHFFFAOYSA-N |
| Mol Weight | 255.27 g/mol |
| Molecular Formula | C12H17NO5 |
| Exact Mass | 255.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QOIl2My1lW |
|---|---|
| Name | 1-(3,4-Diethoxy-phenyl)-2-nitro-ethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.110672646 u |
| Formula | C12H17NO5 |
| InChI | InChI=1S/C12H17NO5/c1-3-17-11-6-5-9(7-12(11)18-4-2)10(14)8-13(15)16/h5-7,10,14H,3-4,8H2,1-2H3 |
| InChIKey | GLOGSVOPMKZAKV-UHFFFAOYSA-N |
| Molecular Weight | 255.270 g/mol |
| SMILES | CCOC=1C=C(C(CN(=O)=O)O)C=CC1OCC |