| SpectraBase Compound ID | qFYQgaiVPS |
|---|---|
| InChI | InChI=1S/C12H17NO3/c1-2-3-4-8-16-10-11-6-5-7-12(9-11)13(14)15/h5-7,9H,2-4,8,10H2,1H3 |
| InChIKey | MLJRNALFNDLSOC-UHFFFAOYSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C12H17NO3 |
| Exact Mass | 223.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nqw9PdbBnn |
|---|---|
| Name | (3-Nitrophenyl) methanol, N-pentyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.120843408 u |
| Formula | C12H17NO3 |
| InChI | InChI=1S/C12H17NO3/c1-2-3-4-8-16-10-11-6-5-7-12(9-11)13(14)15/h5-7,9H,2-4,8,10H2,1H3 |
| InChIKey | MLJRNALFNDLSOC-UHFFFAOYSA-N |
| Molecular Weight | 223.272 g/mol |
| SMILES | C1=C(C=CC=C1COCCCCC)N(=O)=O |