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5,14[1',2']-Benzenopentacene, 5,6,13,14-tetrahydro-
SpectraBase Compound ID GoRpncQbAut
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/h1-14,27-28H,15-16H2/t27-,28+
InChIKey BWLMWAFBRLNOGB-HNRBIFIRSA-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 L1dOmPRrUZx
Name 5,14[1',2']-Benzenopentacene, 5,6,13,14-tetrahydro-
CAS Registry Number 106750-94-1
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/h1-14,27-28H,15-16H2/t27-,28+
InChIKey BWLMWAFBRLNOGB-HNRBIFIRSA-N
Molecular Weight 356.468 g/mol
SMILES C12=C([C@]3(c4c([C@@]2(c2c3cccc2)[H])cccc4)[H])Cc2c(C1)cc1c(cccc1)c2
SPLASH splash10-004i-0900000000-676882ec67458de4fde1
Source of Spectrum F-42-1652-48
Synonyms 5,14-[1',2']benzo-5,14,6,13-tetrahydro-pentacene Heptacyclo[14.6.6.0(2,15).0(4,13).0(6,11).0(17,22).0(23,28)]octacosa-2(15),4(13),5,7,9,11,17,19,21,23,25,27-dodecaene
Wiley ID 1346282