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1,1'-bipentacyclo[6.1.0.0(2,4).0(3,7).0(5,9)]nonane
SpectraBase Compound ID 7WjEC2cVmum
InChI InChI=1S/C18H18/c1-3-7-8-4(1)12-11(3)17(12,15(7)8)18-13-5-2-6(14(13)18)10-9(5)16(10)18/h3-16H,1-2H2/t3-,4+,5-,6+,7-,8?,9-,10?,11+,12?,13+,14?,15?,16?,17?,18?/m1/s1
InChIKey KFBYCWOINVRRAG-RUHWRJCUSA-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 JmIiut4IPmd
Name 1,1'-bipentacyclo[6.1.0.0(2,4).0(3,7).0(5,9)]nonane
CAS Registry Number 116375-09-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18
InChI InChI=1S/C18H18/c1-3-7-8-4(1)12-11(3)17(12,15(7)8)18-13-5-2-6(14(13)18)10-9(5)16(10)18/h3-16H,1-2H2/t3-,4+,5-,6+,7-,8?,9-,10?,11+,12?,13+,14?,15?,16?,17?,18?/m1/s1
InChIKey KFBYCWOINVRRAG-RUHWRJCUSA-N
Molecular Weight 234.342 g/mol
SMILES C12(C34C5[C@@]6([C@@]7([C@]4(C3[C@@](C7)(C56)[H])[H])[H])[H])C3[C@@]4([C@@]5([C@]2(C1[C@@](C5)(C34)[H])[H])[H])[H]
SPLASH splash10-0gdl-0920000000-ac1554be98e020af0948
Source of Spectrum K-121-2264-6
Synonyms 4-{pentacyclo[4.3.0.0(2,4).0(3,8).0(5,7)]nonan-4-yl}pentacyclo[4.3.0.0(2,4).0(3,8).0(5,7)]nonane
Wiley ID 1236776