| SpectraBase Compound ID | 3B88C350sW8 |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-9(2)7-17-8-10-4-5-11(13(14)15)12(6-10)16-3/h4-6,9H,7-8H2,1-3H3 |
| InChIKey | GUUKFXPXJDELSF-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C12H17NO4 |
| Exact Mass | 239.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CD7h8k4uY42 |
|---|---|
| Name | 3-Methoxy-4-nitrobenzyl alcohol, 2-methylpropyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.115758027 u |
| Formula | C12H17NO4 |
| InChI | InChI=1S/C12H17NO4/c1-9(2)7-17-8-10-4-5-11(13(14)15)12(6-10)16-3/h4-6,9H,7-8H2,1-3H3 |
| InChIKey | GUUKFXPXJDELSF-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | C1(=CC(=C(C=C1)N(=O)=O)OC)COCC(C)C |