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4-Thiatricyclo[4.3.1.13,8]undecan-11-one
SpectraBase Compound ID 8vVUyt6HSXs
InChI InChI=1S/C10H14OS/c11-10-8-2-6-1-7(3-8)5-12-9(10)4-6/h6-9H,1-5H2/t6-,7+,8-,9+/m1/s1
InChIKey DCAHYEVYEYQHTO-XAVMHZPKSA-N
Mol Weight 182.28 g/mol
Molecular Formula C10H14OS
Exact Mass 182.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsvIN4I5A2R
Name 4-Thiatricyclo[4.3.1.13,8]undecan-11-one
CAS Registry Number 87114-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14OS
InChI InChI=1S/C10H14OS/c11-10-8-2-6-1-7(3-8)5-12-9(10)4-6/h6-9H,1-5H2/t6-,7+,8-,9+/m1/s1
InChIKey DCAHYEVYEYQHTO-XAVMHZPKSA-N
Molecular Weight 182.281 g/mol
SMILES [C@]12(C([C@]3(SC[C@](C2)(C[C@](C1)(C3)[H])[H])[H])=O)[H]
SPLASH splash10-003r-9700000000-cb93b33ca8e1be3defcc
Source of Spectrum J-48-4075-0
Synonyms 4-Thiahomoadamantan-2-one 4-Thiatricyclo[4.3.1.1(3,8)]undecan-2-one
Wiley ID 1178355