| SpectraBase Compound ID | Lrp591F5y38 |
|---|---|
| InChI | InChI=1S/C16H17NO3/c1-12-3-5-13(6-4-12)16(11-17(18)19)14-7-9-15(20-2)10-8-14/h3-10,16H,11H2,1-2H3 |
| InChIKey | WVOFIHXXDBYJBP-UHFFFAOYSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C16H17NO3 |
| Exact Mass | 271.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 48IW0xLdTWB |
|---|---|
| Name | 1-Methoxy-4-(2-nitro-1-p-tolylethyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.120843408 u |
| Formula | C16H17NO3 |
| InChI | InChI=1S/C16H17NO3/c1-12-3-5-13(6-4-12)16(11-17(18)19)14-7-9-15(20-2)10-8-14/h3-10,16H,11H2,1-2H3 |
| InChIKey | WVOFIHXXDBYJBP-UHFFFAOYSA-N |
| SMILES | C(N(=O)=O)C(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)C |