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2,5-Di(tricyclo[4.1.0.0(2,7)]hept-1-yl]thiophene
SpectraBase Compound ID 2w6LFPXOUa
InChI InChI=1S/C18H20S/c1-3-9-15-10(4-1)17(9,15)13-7-8-14(19-13)18-11-5-2-6-12(18)16(11)18/h7-12,15-16H,1-6H2/t9-,10+,11-,12+,15-,16-,17+,18+
InChIKey MNDXMXJIZPWYSM-SSRWWNNUSA-N
Mol Weight 268.42 g/mol
Molecular Formula C18H20S
Exact Mass 268.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBHwxB1mxtr
Name 2,5-Di(tricyclo[4.1.0.0(2,7)]hept-1-yl]thiophene
CAS Registry Number 126978-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20S
InChI InChI=1S/C18H20S/c1-3-9-15-10(4-1)17(9,15)13-7-8-14(19-13)18-11-5-2-6-12(18)16(11)18/h7-12,15-16H,1-6H2/t9-,10+,11-,12+,15-,16-,17+,18+
InChIKey MNDXMXJIZPWYSM-SSRWWNNUSA-N
Molecular Weight 268.418 g/mol
SMILES [C@]12([C@@]3([C@@]2(CCC[C@@]13[H])[H])[H])c1sc([C@]23[C@]4([C@@]3(CCC[C@@]24[H])[H])[H])cc1
SPLASH splash10-03gi-2940000000-8e3e0683a71aef48cb87
Source of Spectrum K-123-1500-9
Wiley ID 1272709