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(2S,3R,8R,9R)-hexacyclo[7.4.0.0(2,11).0(3,5).0(5,8).0(10,12)]tridecane
SpectraBase Compound ID G9KSKqTIiYK
InChI InChI=1S/C13H16/c1-2-13-4-8(13)10-5-3-6-11(12(6)10)9(5)7(1)13/h5-12H,1-4H2/t5-,6+,7+,8-,9+,10-,11+,12-,13?/m1/s1
InChIKey XILSCXTZBFAOLW-VCBISDAHSA-N
Mol Weight 172.27 g/mol
Molecular Formula C13H16
Exact Mass 172.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZedWfWFqsm
Name (2S,3R,8R,9R)-hexacyclo[7.4.0.0(2,11).0(3,5).0(5,8).0(10,12)]tridecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-2-13-4-8(13)10-5-3-6-11(12(6)10)9(5)7(1)13/h5-12H,1-4H2/t5-,6+,7+,8-,9+,10-,11+,12-,13?/m1/s1
InChIKey XILSCXTZBFAOLW-VCBISDAHSA-N
Molecular Weight 172.271 g/mol
SMILES C123[C@]([C@@]4([C@@]5([C@@]6([C@]([C@]3([H])CC1)([C@]4(C[C@]56[H])[H])[H])[H])[H])[H])([H])C2
SPLASH splash10-004l-0900000000-6afef694e08e8fae83c6
Source of Spectrum F9-1994-665-10
Synonyms Hexacyclo[7.4.0.0(2,11).0(3,5).0(5,8).0(10,12)]]tridecane Hexacyclo[7.4.0.092,11).0(3,5).0(5,8).0(10,12)]tridecane
Wiley ID 1566875