| SpectraBase Compound ID | FrJbLRc3CN8 |
|---|---|
| InChI | InChI=1S/C37H24/c1-5-15-27-23(11-1)33-21-22-34-25-13-3-7-17-29(25)35(27)31-19-9-10-20-32(31)36(37(33,34)35,28-16-6-2-12-24(28)33)30-18-8-4-14-26(30)34/h1-20H,21-22H2 |
| InChIKey | BOHCSGWEEJAACL-UHFFFAOYSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C37H24 |
| Exact Mass | 468.187801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HoaVpnTua1A |
|---|---|
| Name | Pentabenzocentro-hexaquinane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H24 |
| InChI | InChI=1S/C37H24/c1-5-15-27-23(11-1)33-21-22-34-25-13-3-7-17-29(25)35(27)31-19-9-10-20-32(31)36(37(33,34)35,28-16-6-2-12-24(28)33)30-18-8-4-14-26(30)34/h1-20H,21-22H2 |
| InChIKey | BOHCSGWEEJAACL-UHFFFAOYSA-N |
| Molecular Weight | 468.599 g/mol |
| SMILES | C123C45c6ccccc6C33c6ccccc6C1(c1ccccc1C2(c1ccccc51)CC3)c1ccccc41 |
| SPLASH | splash10-014l-0010900000-d99e1217ecd3789ecb75 |
| Source of Spectrum | U-1996-1357-4 |
| Synonyms | undecacyclo[13.13.6.2(8,22).1(1,8).0(2,7).0(9,14).0(16,21).0(23,28).0(29,34).0(15,37).0(22,37)]heptatriaconta-2(7),3,5,9(14),10,12,16(21),17,19,23(28),24,26,29(34),30,32-pentadecaene |
| Wiley ID | 768605 |