![Hexacyclo[29.4.0.0(3,8).0(10,15).0(17,22).0(24,29)]pentatriaconta-1(31),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,32,34-pentadecaene](/api/spectrum/EMUER2UWOtp/structure.png?h=300&w=458 "Hexacyclo[29.4.0.0(3,8).0(10,15).0(17,22).0(24,29)]pentatriaconta-1(31),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,32,34-pentadecaene")
| SpectraBase Compound ID | BRwRImH3Fp1 |
|---|---|
| InChI | InChI=1S/C35H30/c1-2-12-27-22-29-14-5-6-16-31(29)24-33-18-9-10-20-35(33)25-34-19-8-7-17-32(34)23-30-15-4-3-13-28(30)21-26(27)11-1/h1-20H,21-25H2 |
| InChIKey | NAZOODTZFRCQNO-UHFFFAOYSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C35H30 |
| Exact Mass | 450.234751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EMUER2UWOtp |
|---|---|
| Name | Hexacyclo[29.4.0.0(3,8).0(10,15).0(17,22).0(24,29)]pentatriaconta-1(31),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,32,34-pentadecaene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.234750966 u |
| Formula | C35H30 |
| InChI | InChI=1S/C35H30/c1-2-12-27-22-29-14-5-6-16-31(29)24-33-18-9-10-20-35(33)25-34-19-8-7-17-32(34)23-30-15-4-3-13-28(30)21-26(27)11-1/h1-20H,21-25H2 |
| InChIKey | NAZOODTZFRCQNO-UHFFFAOYSA-N |
| Molecular Weight | 450.625 g/mol |
| SMILES | C12=C(CC3=C(CC4=C(C=CC=C4)CC4=C(CC5=C(C1)C=CC=C5)C=CC=C4)C=CC=C3)C=CC=C2 |