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5,16-[1',2']benzeno-5,16-dihydrohexacene

View entire compound with spectra: 1 MS (GC)

5,16-[1',2']benzeno-5,16-dihydrohexacene
SpectraBase Compound ID 5RlkkO4uWzg
InChI InChI=1S/C32H20/c1-2-8-20-14-22-16-24-18-30-29(17-23(24)15-21(22)13-19(20)7-1)31-25-9-3-5-11-27(25)32(30)28-12-6-4-10-26(28)31/h1-18,31-32H/t31-,32+
InChIKey XIKBDCPTNLEILR-MEKGRNQZSA-N
Mol Weight 404.5 g/mol
Molecular Formula C32H20
Exact Mass 404.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPNBAdX7Sw6
Name 5,16-[1',2']benzeno-5,16-dihydrohexacene
Alternate Name(s) octacyclo[18.6.6.0(2,19).0(4,17).0(6,15).0(8,13).0(21,26).0(27,32)]dotriaconta-2(19),3,5,7,9,11,13,15,17,21,23,25,27,29,31-pentadecaene
CAS Registry Number 108947-54-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H20
InChI InChI=1S/C32H20/c1-2-8-20-14-22-16-24-18-30-29(17-23(24)15-21(22)13-19(20)7-1)31-25-9-3-5-11-27(25)32(30)28-12-6-4-10-26(28)31/h1-18,31-32H/t31-,32+
InChIKey XIKBDCPTNLEILR-MEKGRNQZSA-N
Molecular Weight 404.512 g/mol
SMILES [C@]12(c3c(cc4c(c3)cc3c(cc5c(c3)cccc5)c4)[C@@](c3c1cccc3)(c1c2cccc1)[H])[H]
SPLASH splash10-0udi-0020900000-8436f0053118811b797c
Source of Spectrum J-52-3636-30
Wiley ID 1371631