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1,1'-bipentacyclo[5.2.0.0(2,6).0(3,9).0(5,8)]nonane
SpectraBase Compound ID 9TbtwPq5QuQ
InChI InChI=1S/C18H18/c1-3-7-11-5(1)12-8(3)15(7)17(11,12)18-13-6-2-4-9(13)16(18)10(4)14(6)18/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8?,9-,10?,11+,12-,13+,14-,15?,16?,17+,18+/m1/s1
InChIKey FMEHWIRBTVZHNI-QDHJDHSGSA-N
Mol Weight 234.34 g/mol
Molecular Formula C18H18
Exact Mass 234.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zl0yR9V4qr
Name 1,1'-bipentacyclo[5.2.0.0(2,6).0(3,9).0(5,8)]nonane
Alternate Name(s) 4-{pentacyclo[4.3.0.0(2,5).0(3,8).0(4,7)]nonan-4-yl}pentacyclo[4.3.0.0(2,5).0(3,8).0(4,7)]nonane
CAS Registry Number 116375-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18
InChI InChI=1S/C18H18/c1-3-7-11-5(1)12-8(3)15(7)17(11,12)18-13-6-2-4-9(13)16(18)10(4)14(6)18/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8?,9-,10?,11+,12-,13+,14-,15?,16?,17+,18+/m1/s1
InChIKey FMEHWIRBTVZHNI-QDHJDHSGSA-N
Molecular Weight 234.342 g/mol
SMILES [C@]12([C@]34[C@@]5([C@@]6(C4C4[C@]6(C[C@]5([C@@]34[H])[H])[H])[H])[H])[C@]3(C4C2[C@@]2([C@]4(C[C@]3([C@]12[H])[H])[H])[H])[H]
SPLASH splash10-014l-0910000000-f4b8889724ec26f603ce
Source of Spectrum K-121-2264-1
Wiley ID 1236777