![[N.o]-Meta-cyclophane](/api/spectrum/H09jKd9TNkT/structure.png?h=300&w=458 "[N.o]-Meta-cyclophane")
| SpectraBase Compound ID | 5xekuV8V2Zj |
|---|---|
| InChI | InChI=1S/C21H28O2/c1-22-20-14-10-18(11-15-20)8-6-4-3-5-7-9-19-12-16-21(23-2)17-13-19/h10-17H,3-9H2,1-2H3 |
| InChIKey | YZRSLDQHIKXRDF-UHFFFAOYSA-N |
| Mol Weight | 312.45 g/mol |
| Molecular Formula | C21H28O2 |
| Exact Mass | 312.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H09jKd9TNkT |
|---|---|
| Name | [N.o]-Meta-cyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.208930140 u |
| Formula | C21H28O2 |
| InChI | InChI=1S/C21H28O2/c1-22-20-14-10-18(11-15-20)8-6-4-3-5-7-9-19-12-16-21(23-2)17-13-19/h10-17H,3-9H2,1-2H3 |
| InChIKey | YZRSLDQHIKXRDF-UHFFFAOYSA-N |
| Molecular Weight | 312.453 g/mol |
| SMILES | C1(=CC=C(C=C1)CCCCCCCC1=CC=C(C=C1)OC)OC |