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3,6-Methano-2H-1-benzothiopyran, octahydro-
SpectraBase Compound ID 3SqnvxCitEq
InChI InChI=1S/C10H16S/c1-2-10-9-4-7(1)3-8(5-9)6-11-10/h7-10H,1-6H2
InChIKey LYBCRVCUOBDYIU-UHFFFAOYSA-N
Mol Weight 168.3 g/mol
Molecular Formula C10H16S
Exact Mass 168.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5g89V3sh6tp
Name 3,6-Methano-2H-1-benzothiopyran, octahydro-
Alternate Name(s) 3-Thiatricyclo[5.3.1.0(4,9)]undecane
CAS Registry Number 87114-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16S
InChI InChI=1S/C10H16S/c1-2-10-9-4-7(1)3-8(5-9)6-11-10/h7-10H,1-6H2
InChIKey LYBCRVCUOBDYIU-UHFFFAOYSA-N
Molecular Weight 168.298 g/mol
SMILES C12SCC3CC(CC2C3)CC1
SPLASH splash10-0006-9200000000-6f2eabb900214b4381e6
Source of Spectrum J-48-4075-0
Wiley ID 1165074