![1,2,5-Trimethyl-3-[(4-nitrobenzyl)oxy]benzene](/api/spectrum/Clxu7ZPvEe7/structure.png?h=300&w=458 "1,2,5-Trimethyl-3-[(4-nitrobenzyl)oxy]benzene")
| SpectraBase Compound ID | 8oR2c6gXRf7 |
|---|---|
| InChI | InChI=1S/C16H17NO3/c1-11-8-12(2)13(3)16(9-11)20-10-14-4-6-15(7-5-14)17(18)19/h4-9H,10H2,1-3H3 |
| InChIKey | LXSJBABIWXHPNA-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 | Clxu7ZPvEe7 |
|---|---|
| Name | 1,2,5-Trimethyl-3-[(4-nitrobenzyl)oxy]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/c1-11-8-12(2)13(3)16(9-11)20-10-14-4-6-15(7-5-14)17(18)19/h4-9H,10H2,1-3H3 |
| InChIKey | LXSJBABIWXHPNA-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C=CC(COC=2C(=C(C)C=C(C2)C)C)=CC1 |