| SpectraBase Compound ID | 7acpu4uzBIM |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-9(2)6-7-17-12-8-10(13(14)15)4-5-11(12)16-3/h4-5,8-9H,6-7H2,1-3H3 |
| InChIKey | KDDNZMCAUUCCGH-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 | HvYmN8gxJJz |
|---|---|
| Name | 2-Methoxy-5-nitrophenol, 3-methylbutyl 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)6-7-17-12-8-10(13(14)15)4-5-11(12)16-3/h4-5,8-9H,6-7H2,1-3H3 |
| InChIKey | KDDNZMCAUUCCGH-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | C1(=CC(OCCC(C)C)=C(C=C1)OC)N(=O)=O |