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Tricyclo[3.3.1.1(3,7)]decanethione, 4-methyl-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.,7.beta.)]-
SpectraBase Compound ID 9IMkzyna1Ot
InChI InChI=1S/C11H16S/c1-6-8-2-7-3-9(5-8)11(12)10(6)4-7/h6-10H,2-5H2,1H3/t6-,7+,8-,9+,10-/m1/s1
InChIKey JNLLFFYLUOCDDX-MQIGXGKASA-N
Mol Weight 180.31 g/mol
Molecular Formula C11H16S
Exact Mass 180.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2DMu2xbXkK
Name Tricyclo[3.3.1.1(3,7)]decanethione, 4-methyl-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.,7.beta.)]-
CAS Registry Number 88430-56-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16S
InChI InChI=1S/C11H16S/c1-6-8-2-7-3-9(5-8)11(12)10(6)4-7/h6-10H,2-5H2,1H3/t6-,7+,8-,9+,10-/m1/s1
InChIKey JNLLFFYLUOCDDX-MQIGXGKASA-N
Molecular Weight 180.309 g/mol
SMILES [C@@]12(C([C@@]3([H])C[C@@](C2)(C[C@@]([C@]1(C)[H])(C3)[H])[H])=S)[H]
SPLASH splash10-001i-0900000000-4e96e040a47dff606743
Source of Spectrum C-106-943-0
Synonyms (+)-(1S,3R,4R)-4(E)-Methyladamantane-2-thione (+)-(1S,3R,4S)-4(a)-Methyladamantane-2-thione (1R,3R,4R)-4-methyltricyclo[3.3.1.1(3,7)]decane-2-thione
Wiley ID 1176700