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4,5-[(Thioethano)thio]-4-homoadamantene
SpectraBase Compound ID 96xhPskHhRf
InChI InChI=1S/C13H18S2/c1-2-15-13-11-6-8-3-9(7-11)5-10(4-8)12(13)14-1/h8-11H,1-7H2/t8-,9+,10-,11+
InChIKey MBZUBJWORWTDPL-DTIDVZRVSA-N
Mol Weight 238.41 g/mol
Molecular Formula C13H18S2
Exact Mass 238.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Z12QmmoVWf
Name 4,5-[(Thioethano)thio]-4-homoadamantene
Alternate Name(s) 3,6-Dithiatetracyclo[8.3.1.1(8,12).0(2,7)]pentadec-2(7)-ene
CAS Registry Number 87450-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18S2
InChI InChI=1S/C13H18S2/c1-2-15-13-11-6-8-3-9(7-11)5-10(4-8)12(13)14-1/h8-11H,1-7H2/t8-,9+,10-,11+
InChIKey MBZUBJWORWTDPL-DTIDVZRVSA-N
Molecular Weight 238.407 g/mol
SMILES C12=C([C@]3(C[C@]4(C[C@@]2(C[C@@](C3)(C4)[H])[H])[H])[H])SCCS1
SPLASH splash10-000i-3390000000-732f8dc81bfd0ddb45a0
Source of Spectrum J-48-5110-0
Wiley ID 1240566