pyrrolophane](/api/spectrum/86GutBYM81F/structure.png?h=300&w=458 "N-(4-Hydroxybutyl)[10](2,5)pyrrolophane")
| SpectraBase Compound ID | B7GyYbHH1GN |
|---|---|
| InChI | InChI=1S/C18H31NO/c20-16-10-9-15-19-17-11-7-5-3-1-2-4-6-8-12-18(19)14-13-17/h13-14,20H,1-12,15-16H2 |
| InChIKey | WHDRNAJAWAKAIO-UHFFFAOYSA-N |
| Mol Weight | 277.45 g/mol |
| Molecular Formula | C18H31NO |
| Exact Mass | 277.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86GutBYM81F |
|---|---|
| Name | N-(4-Hydroxybutyl)[10](2,5)pyrrolophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.240564621 u |
| Formula | C18H31NO |
| InChI | InChI=1S/C18H31NO/c20-16-10-9-15-19-17-11-7-5-3-1-2-4-6-8-12-18(19)14-13-17/h13-14,20H,1-12,15-16H2 |
| InChIKey | WHDRNAJAWAKAIO-UHFFFAOYSA-N |
| Molecular Weight | 277.452 g/mol |
| SMILES | C1=2N(C(=CC2)CCCCCCCCCC1)CCCCO |