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2-Thiatricyclo[3.3.1.13,7]decane-4,8-D2, (1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.,8.alpha.)-
SpectraBase Compound ID GTrP7l3J3LL
InChI InChI=1S/C9H14S/c1-6-2-8-4-7(1)5-9(3-6)10-8/h6-9H,1-5H2/t6-,7+,8-,9-/i2D,5D/t2-,5+,6-,7+,8-,9-/m0/s1
InChIKey NOBCRSKNBOQNEL-OQQQTXHKSA-N
Mol Weight 156.28 g/mol
Molecular Formula C9H12D2S
Exact Mass 156.094175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80AqUxLkitA
Name 2-Thiatricyclo[3.3.1.13,7]decane-4,8-D2, (1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.,8.alpha.)-
CAS Registry Number 108034-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12D2S
InChI InChI=1S/C9H14S/c1-6-2-8-4-7(1)5-9(3-6)10-8/h6-9H,1-5H2/t6-,7+,8-,9-/i2D,5D/t2-,5+,6-,7+,8-,9-/m0/s1
InChIKey NOBCRSKNBOQNEL-OQQQTXHKSA-N
Molecular Weight 156.283 g/mol
SMILES [C@]12(S[C@]3(C[C@]([C@@]2([D])[H])(C[C@]([C@]3([D])[H])([H])C1)[H])[H])[H]
SPLASH splash10-0a59-9600000000-f3b2db2bd535377b46a8
Source of Spectrum J-52-2399-6
Synonyms anti,anti-4,8-Dideuterio-2-thiaadamantane
Wiley ID 1151483