![7,16[1',2']-benzeno-7,16-dihydroheptacene](/api/spectrum/4Ja5JJzyuMW/structure.png?h=300&w=458 "7,16[1',2']-benzeno-7,16-dihydroheptacene")
| SpectraBase Compound ID | 8YyRUB8lDQx |
|---|---|
| InChI | InChI=1S/C36H22/c1-2-8-22-14-26-18-32-31(17-25(26)13-21(22)7-1)35-29-11-5-6-12-30(29)36(32)34-20-28-16-24-10-4-3-9-23(24)15-27(28)19-33(34)35/h1-20,35-36H/t35-,36+ |
| InChIKey | NHZXSCYVKINILI-TYHGNQNSSA-N |
| Mol Weight | 454.6 g/mol |
| Molecular Formula | C36H22 |
| Exact Mass | 454.172151 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4Ja5JJzyuMW |
|---|---|
| Name | 7,16[1',2']-benzeno-7,16-dihydroheptacene |
| CAS Registry Number | 110372-75-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H22 |
| InChI | InChI=1S/C36H22/c1-2-8-22-14-26-18-32-31(17-25(26)13-21(22)7-1)35-29-11-5-6-12-30(29)36(32)34-20-28-16-24-10-4-3-9-23(24)15-27(28)19-33(34)35/h1-20,35-36H/t35-,36+ |
| InChIKey | NHZXSCYVKINILI-TYHGNQNSSA-N |
| Molecular Weight | 454.572 g/mol |
| SMILES | [C@]12(c3c(cc4c(c3)cc3c(cccc3)c4)[C@](c3c2cccc3)(c2c1cc1c(cc3c(c1)cccc3)c2)[H])[H] |
| SPLASH | splash10-0fb9-0190500000-3174224c48ab8477d742 |
| Source of Spectrum | J-52-4836-2 |
| Synonyms | nonacyclo[14.14.6.0(2,15).0(4,13).0(6,11).0(17,30).0(19,28).0(21,26).0(31,36)]hexatriaconta-2(15),3,5,7,9,11,13,17(30),18,20,22,24,26,28,31,33,35-heptadecaene |
| Wiley ID | 1388965 |