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exo-4,5-Dihydrobenzo[e]pyreno-2':3',4:5-endo-5',6'-cyclopentenonorbornane
SpectraBase Compound ID IEPM7b5AKjG
InChI InChI=1S/C28H22/c1-2-7-16-15(6-1)19-10-4-12-21-25(19)26-20(16)11-5-13-22(26)28-24-14-23(27(21)28)17-8-3-9-18(17)24/h1-8,10-13,17-18,23-24,27-28H,9,14H2/t17?,18?,23?,24?,27-,28-/m0/s1
InChIKey GVXXZPSKHLJSAV-VORWTHSGSA-N
Mol Weight 358.48 g/mol
Molecular Formula C28H22
Exact Mass 358.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KMlyOfXbU7
Name exo-4,5-Dihydrobenzo[e]pyreno-2':3',4:5-endo-5',6'-cyclopentenonorbornane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22
InChI InChI=1S/C28H22/c1-2-7-16-15(6-1)19-10-4-12-21-25(19)26-20(16)11-5-13-22(26)28-24-14-23(27(21)28)17-8-3-9-18(17)24/h1-8,10-13,17-18,23-24,27-28H,9,14H2/t17?,18?,23?,24?,27-,28-/m0/s1
InChIKey GVXXZPSKHLJSAV-VORWTHSGSA-N
Molecular Weight 358.484 g/mol
SMILES [C@@]12([C@](C3C4C=CCC4C2C3)(c2c3c(c4ccccc4c4c3c1ccc4)ccc2)[H])[H]
SPLASH splash10-0k96-0095000000-c1ec28e67c514a8ed306
Source of Spectrum F-50-398-40
Synonyms Octacyclo[13.10.2.1(3,9).0(2,10).0(4,8).0(11,27).0(16,21).0(22,26)]octacosa-1(25),4(8),11,13,15,17,19,21,23,26-decaene
Wiley ID 1347601