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15,16-dimethylene-5,14-ethano-7,12-[1',2']benzeno-5,7,12,14-tetrahydropentacene
SpectraBase Compound ID YgT6vrRMa1
InChI InChI=1S/C32H22/c1-17-18(2)30-20-10-4-3-9-19(20)29(17)25-15-27-28(16-26(25)30)32-23-13-7-5-11-21(23)31(27)22-12-6-8-14-24(22)32/h3-16,29-32H,1-2H2/t29-,30+,31-,32+
InChIKey HGAUGAIPQIAQNG-HRDPQUPSSA-N
Mol Weight 406.5 g/mol
Molecular Formula C32H22
Exact Mass 406.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID z93sIzWfbT
Name 15,16-dimethylene-5,14-ethano-7,12-[1',2']benzeno-5,7,12,14-tetrahydropentacene
Alternate Name(s) 29,30-dimethyleneoctacyclo[14.6.6.2(5,12).0(2,15).0(4,13).0(6,11).0(17,22).0(23,28)]triaconta-2(15),3,6,8,10,13,17,19,21,23,25,27-dodecaene
CAS Registry Number 108947-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H22
InChI InChI=1S/C32H22/c1-17-18(2)30-20-10-4-3-9-19(20)29(17)25-15-27-28(16-26(25)30)32-23-13-7-5-11-21(23)31(27)22-12-6-8-14-24(22)32/h3-16,29-32H,1-2H2/t29-,30+,31-,32+
InChIKey HGAUGAIPQIAQNG-HRDPQUPSSA-N
Molecular Weight 406.528 g/mol
SMILES C1(C([C@@]2(c3c([C@]1(c1c2cc2[C@]4(c5ccccc5[C@@](c2c1)(c1ccccc41)[H])[H])[H])cccc3)[H])=C)=C
SPLASH splash10-0kdl-4934500000-6f4dab8619787186e3c1
Source of Spectrum J-52-3635-21
Wiley ID 1372472