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(1R,7aS)-1-(3-thienyl)-1,4,5,6,7,7a-hexahydroinden-2-one
SpectraBase Compound ID 36LWq7zBabG
InChI InChI=1S/C13H14OS/c14-12-7-9-3-1-2-4-11(9)13(12)10-5-6-15-8-10/h5-8,11,13H,1-4H2/t11-,13+/m1/s1
InChIKey VVYFABOPTXEYMZ-YPMHNXCESA-N
Mol Weight 218.31 g/mol
Molecular Formula C13H14OS
Exact Mass 218.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYG419j9LCc
Name (1R,7aS)-1-(3-thienyl)-1,4,5,6,7,7a-hexahydroinden-2-one
Alternate Name(s) (1R,7aS)-1-(3-thiophenyl)-1,4,5,6,7,7a-hexahydroinden-2-one (1R,7aS)-1-thiophen-3-yl-1,4,5,6,7,7a-hexahydroinden-2-one
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Formula C13H14OS
InChI InChI=1S/C13H14OS/c14-12-7-9-3-1-2-4-11(9)13(12)10-5-6-15-8-10/h5-8,11,13H,1-4H2/t11-,13+/m1/s1
InChIKey VVYFABOPTXEYMZ-YPMHNXCESA-N
Molecular Weight 218.314 g/mol
SMILES C1(C=C2CCCC[C@]2([C@@]1(c1cscc1)[H])[H])=O
SPLASH splash10-014j-5930000000-7b99c938d17b552f8124
Source of Spectrum F-54-14995-9
Wiley ID 810017