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stereoisomer of 1,1',4,4'-tetrahydro-9,9'-bi-1,4-methanonaphthalene
SpectraBase Compound ID 5XUIB4OGhua
InChI InChI=1S/C22H18/c1-2-6-14-13(5-1)17-9-10-18(14)21(17)22-19-11-12-20(22)16-8-4-3-7-15(16)19/h1-12,17-22H/t17-,18+,19-,20+,21-,22-
InChIKey FCLYOWGWQMCDMG-UPQRAGHHSA-N
Mol Weight 282.39 g/mol
Molecular Formula C22H18
Exact Mass 282.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lh2epfhgy0d
Name stereoisomer of 1,1',4,4'-tetrahydro-9,9'-bi-1,4-methanonaphthalene
Alternate Name(s) 11-tricyclo[6.2.1.0(2,7)]undeca-2,4,6,9-tetraen-11-yltricyclo[6.2.1.0(2,7)]undeca-2,4,6,9-tetraene
CAS Registry Number 14518-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18
InChI InChI=1S/C22H18/c1-2-6-14-13(5-1)17-9-10-18(14)21(17)22-19-11-12-20(22)16-8-4-3-7-15(16)19/h1-12,17-22H/t17-,18+,19-,20+,21-,22-
InChIKey FCLYOWGWQMCDMG-UPQRAGHHSA-N
Molecular Weight 282.386 g/mol
SMILES [C@]1([C@]2([C@]3(c4ccccc4[C@@]2(C=C3)[H])[H])[H])([C@@]2(c3ccccc3[C@]1(C=C2)[H])[H])[H]
SPLASH splash10-0f6x-0900000000-67bc4d9e3b2d61257de1
Source of Spectrum J-41-2004-0
Wiley ID 1286586