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1',4':7,12-Di-o-benzeno-1',4',7,12-tetrahydro-5,6-naphthotetraphene-1,4-dione
SpectraBase Compound ID 5z8uPrMfVlD
InChI InChI=1S/C38H22O2/c39-27-17-18-28(40)34-33(27)35-29-19-9-1-5-13-23(19)31(24-14-6-2-10-20(24)29)37(35)38-32-25-15-7-3-11-21(25)30(36(34)38)22-12-4-8-16-26(22)32/h1-18,29-32H/t29-,30-,31-,32+
InChIKey ABQNCCFKZBSJLW-OGLIRLGBSA-N
Mol Weight 510.6 g/mol
Molecular Formula C38H22O2
Exact Mass 510.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJP4BYm2qJk
Name 1',4':7,12-Di-o-benzeno-1',4',7,12-tetrahydro-5,6-naphthotetraphene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H22O2
InChI InChI=1S/C38H22O2/c39-27-17-18-28(40)34-33(27)35-29-19-9-1-5-13-23(19)31(24-14-6-2-10-20(24)29)37(35)38-32-25-15-7-3-11-21(25)30(36(34)38)22-12-4-8-16-26(22)32/h1-18,29-32H/t29-,30-,31-,32+
InChIKey ABQNCCFKZBSJLW-OGLIRLGBSA-N
Molecular Weight 510.592 g/mol
SMILES c12c3c([C@]4(c5c([C@@]3(c3c4cccc3)[H])cccc5)[H])c3C(C=CC(c3c1[C@]1(c3c([C@]2(c2c1cccc2)[H])cccc3)[H])=O)=O
SPLASH splash10-03di-0200930000-b576e959d35e8da8e068
Source of Spectrum J-56-6910-7
Synonyms decacyclo[18.6.6.6(4,11).0(2,19).0(3,12).0(5,10).0(13,18).0(21,26).0(27,32).0(33,38)]octatriaconta-2,5,7,9,12,15,18,21,23,25,27,29,31,33,35,37-hexadecaene-14,17-dione
Wiley ID 1400618