| SpectraBase Compound ID | 1FGkXU3Xcd0 |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-10(2)9-16-7-8-17-12-5-3-11(4-6-12)13(14)15/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | WBVSLJBYSMGDKE-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 | F2Rj9F94PlZ |
|---|---|
| Name | 2-(4-Nitrophenoxy)ethanol, 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/c1-10(2)9-16-7-8-17-12-5-3-11(4-6-12)13(14)15/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | WBVSLJBYSMGDKE-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | C1(=CC=C(C=C1)N(=O)=O)OCCOCC(C)C |