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5,14-[1',2'-benzeno]-5,5a,6,14-tetrahydropentacene
SpectraBase Compound ID IsJZBN5UlrM
InChI InChI=1S/C28H20/c1-2-8-18-14-20-16-26-25(15-19(20)13-17(18)7-1)27-21-9-3-5-11-23(21)28(26)24-12-6-4-10-22(24)27/h1-15,26-28H,16H2/t26?,27-,28+
InChIKey QUEBBJLSPDMWLU-KPINYLBXSA-N
Mol Weight 356.47 g/mol
Molecular Formula C28H20
Exact Mass 356.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Q7oj3mNBf4
Name 5,14-[1',2'-benzeno]-5,5a,6,14-tetrahydropentacene
Alternate Name(s) Heptacyclo[14.6.6.0(2,15).0(4,13).0(6,11).0(17,22).0(23,28)]octacosa-2,4(13),5,7,9,11,17,19,21,23,25,27-dodecaene
CAS Registry Number 108947-36-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20
InChI InChI=1S/C28H20/c1-2-8-18-14-20-16-26-25(15-19(20)13-17(18)7-1)27-21-9-3-5-11-23(21)28(26)24-12-6-4-10-22(24)27/h1-15,26-28H,16H2/t26?,27-,28+
InChIKey QUEBBJLSPDMWLU-KPINYLBXSA-N
Molecular Weight 356.468 g/mol
SMILES C=12[C@]3(c4ccccc4[C@@](C2Cc2c(C1)cc1c(cccc1)c2)(c1ccccc31)[H])[H]
SPLASH splash10-004i-0904000000-20bf3650424addd5aaf0
Source of Spectrum J-52-3634-10
Wiley ID 1346283