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(3S,7aR)-(+)-3-(Thiophen-2-yl)-3,4,7,7atetrahydrocyclopenta[c]pyran-6(1H)-one
SpectraBase Compound ID EqqyQLImzJK
InChI InChI=1S/C12H12O2S/c13-10-4-8-6-11(12-2-1-3-15-12)14-7-9(8)5-10/h1-4,9,11H,5-7H2/t9-,11-/m0/s1
InChIKey YMSIRCFOHHXRGH-ONGXEEELSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzTed9x26Zx
Name (3S,7aR)-(+)-3-(Thiophen-2-yl)-3,4,7,7atetrahydrocyclopenta[c]pyran-6(1H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c13-10-4-8-6-11(12-2-1-3-15-12)14-7-9(8)5-10/h1-4,9,11H,5-7H2/t9-,11-/m0/s1
InChIKey YMSIRCFOHHXRGH-ONGXEEELSA-N
Molecular Weight 220.286 g/mol
SMILES C12=CC(=O)C[C@]2(CO[C@](c2sccc2)(C1)[H])[H]
SPLASH splash10-00di-0090000000-8ab09236c20d46e6caa1
Source of Spectrum F-67-483-14
Wiley ID 1686605