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6,13-Dimethyl-5,7,12,14-Tetrahydro-5,14[1',2']:7,12[1'',2'']-dibenzenopentacene
SpectraBase Compound ID Fp3r5WxyfjL
InChI InChI=1S/C36H26/c1-19-29-31(35-25-15-7-3-11-21(25)33(29)22-12-4-8-16-26(22)35)20(2)32-30(19)34-23-13-5-9-17-27(23)36(32)28-18-10-6-14-24(28)34/h3-18,33-36H,1-2H3/t33-,34-,35+,36+
InChIKey LNVOPYSKEQAQTG-IHAKKMGISA-N
Mol Weight 458.6 g/mol
Molecular Formula C36H26
Exact Mass 458.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMtBL9K7Kap
Name 6,13-Dimethyl-5,7,12,14-Tetrahydro-5,14[1',2']:7,12[1'',2'']-dibenzenopentacene
Alternate Name(s) 3,14-dimethylnonacyclo[14.6.6.6(5,12).0(2,15).0(4,13).0(6,11).0(17,22).0(23,28).0(29,34)]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaene 6,13-Dimethyl-5,7,12,14-tetrahydro-5,14[1',2']:7,12[1'',2'']-dibenzenopentacene
CAS Registry Number 78823-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H26
InChI InChI=1S/C36H26/c1-19-29-31(35-25-15-7-3-11-21(25)33(29)22-12-4-8-16-26(22)35)20(2)32-30(19)34-23-13-5-9-17-27(23)36(32)28-18-10-6-14-24(28)34/h3-18,33-36H,1-2H3/t33-,34-,35+,36+
InChIKey LNVOPYSKEQAQTG-IHAKKMGISA-N
Molecular Weight 458.604 g/mol
SMILES c12c([C@]3(c4c([C@@]1(c1c3cccc1)[H])cccc4)[H])c(C)c1c(c2C)[C@@]2(c3c(cccc3)[C@]1(c1c2cccc1)[H])[H]
SPLASH splash10-057i-0190600000-d99de041e4ad39e66181
Source of Spectrum J-46-4430-0
Wiley ID 1390130