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TRANS-1-THIADECALINE
SpectraBase Compound ID 4qnflBJngwT
InChI InChI=1S/C9H16S/c1-2-6-9-8(4-1)5-3-7-10-9/h8-9H,1-7H2/t8-,9+/m0/s1
InChIKey ILOILTHGYLSHSI-DTWKUNHWSA-N
Mol Weight 156.29 g/mol
Molecular Formula C9H16S
Exact Mass 156.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Levfw3axTdA
Name 2H-1-Benzothiopyran, octahydro-, trans-
Alternate Name(s) trans-2-thiabicyclo(4.4.0)decane Octahydro-2H-thiochromene trans-1-Thiadecahydronaphthalene (4aS,8aR)-octahydro-2H-thiochromene (4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-1-benzothiopyran
CAS Registry Number 54340-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16S
InChI InChI=1S/C9H16S/c1-2-6-9-8(4-1)5-3-7-10-9/h8-9H,1-7H2/t8-,9+/m0/s1
InChIKey ILOILTHGYLSHSI-DTWKUNHWSA-N
Molecular Weight 156.287 g/mol
SMILES [C@@]12(SCCC[C@@]1(CCCC2)[H])[H]
SPLASH splash10-03di-2900000000-2a2670b2ae30073c436d
Source of Spectrum JX-2015-6-7615
Wiley ID 1729691