![Tribenzo[b,n,pqr]perylene](/api/spectrum/5JHNM0KSlIs/structure.png?h=300&w=458 "Tribenzo[b,n,pqr]perylene")
| SpectraBase Compound ID | BVVjL5RnAM |
|---|---|
| InChI | InChI=1S/C30H16/c1-3-9-19-17(7-1)21-11-5-13-23-24-14-6-12-22-18-8-2-4-10-20(18)26-16-15-25(19)29(27(21)23)30(26)28(22)24/h1-16H |
| InChIKey | OCHHCTQLQKUZDD-UHFFFAOYSA-N |
| Mol Weight | 376.46 g/mol |
| Molecular Formula | C30H16 |
| Exact Mass | 376.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JHNM0KSlIs |
|---|---|
| Name | Tribenzo[B,N,pqr]perylene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.125200515 u |
| Formula | C30H16 |
| InChI | InChI=1S/C30H16/c1-3-9-19-17(7-1)21-11-5-13-23-24-14-6-12-22-18-8-2-4-10-20(18)26-16-15-25(19)29(27(21)23)30(26)28(22)24/h1-16H |
| InChIKey | OCHHCTQLQKUZDD-UHFFFAOYSA-N |
| Molecular Weight | 376.458 g/mol |
| SMILES | C1=2C(=CC=CC2)C2=C3C=4C1=CC=CC4C1=CC=CC=4C1=C3C(=C1C4C=CC=C1)C=C2 |