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5,6,6a,7,7a,8,9,14,15,15a,16,16a,17,18-Tetracisahydro-5,18:7,16:9,14-trimethanoheptacene
SpectraBase Compound ID D0P2Fraf0S7
InChI InChI=1S/C33H32/c1-2-6-17-16(5-1)20-9-21(17)25-12-29-28(11-24(20)25)32-15-33(29)31-14-27-23-10-22(26(27)13-30(31)32)18-7-3-4-8-19(18)23/h1-8,20-23,28-33H,9-15H2/t20-,21+,22+,23-,28-,29-,30-,31+,32+,33-/m1/s1
InChIKey FKOXVSGPDPHBMO-HJQKMVAVSA-N
Mol Weight 428.6 g/mol
Molecular Formula C33H32
Exact Mass 428.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6164JIYyc
Name 5,6,6a,7,7a,8,9,14,15,15a,16,16a,17,18-Tetracisahydro-5,18:7,16:9,14-trimethanoheptacene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H32
InChI InChI=1S/C33H32/c1-2-6-17-16(5-1)20-9-21(17)25-12-29-28(11-24(20)25)32-15-33(29)31-14-27-23-10-22(26(27)13-30(31)32)18-7-3-4-8-19(18)23/h1-8,20-23,28-33H,9-15H2/t20-,21+,22+,23-,28-,29-,30-,31+,32+,33-/m1/s1
InChIKey FKOXVSGPDPHBMO-HJQKMVAVSA-N
Molecular Weight 428.619 g/mol
SMILES C12=C([C@@]3(C[C@]2(c2c3cccc2)[H])[H])C[C@@]2([C@@](C1)([C@]1([C@@]3([C@@](CC=4[C@@]5(c6ccccc6[C@](C4C3)(C5)[H])[H])([C@@]2(C1)[H])[H])[H])[H])[H])[H]
SPLASH splash10-00or-0700900000-83bf75ac3b78bfec2652
Source of Spectrum QF-9-5045-10
Wiley ID 1558897