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1,3-Dithiane, 2-cyclopenten-1-one deriv.
SpectraBase Compound ID LlnGpYd7wKB
InChI InChI=1S/C10H14O2S2/c11-8-4-7(9(12)6-8)5-10-13-2-1-3-14-10/h4,8,10-11H,1-3,5-6H2/t8-/m0/s1
InChIKey NDQQEGVWAZHCFO-QMMMGPOBSA-N
Mol Weight 230.34 g/mol
Molecular Formula C10H14O2S2
Exact Mass 230.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIYk4pKbCa9
Name 1,3-Dithiane, 2-cyclopenten-1-one deriv.
Alternate Name(s) 2-Cyclopenten-1-one, 2-(1,3-dithian-2-ylmethyl)-4-hydroxy-, (R)- (4R)-2-(1,3-dithian-2-ylmethyl)-4-hydroxy-2-cyclopenten-1-one (R)-2-[(1',3'-dithian-2'-yl)methyl]-4-hydroxycyclopent-2-enone
CAS Registry Number 86949-83-9
Comments Less than 3 mono-isotopic peaks
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Formula C10H14O2S2
InChI InChI=1S/C10H14O2S2/c11-8-4-7(9(12)6-8)5-10-13-2-1-3-14-10/h4,8,10-11H,1-3,5-6H2/t8-/m0/s1
InChIKey NDQQEGVWAZHCFO-QMMMGPOBSA-N
Molecular Weight 230.340 g/mol
SMILES O[C@]1(C=C(C(C1)=O)CC1SCCCS1)[H]
SPLASH splash10-0159-0980000000-92daab849159bf2050a3
Source of Spectrum KC-1990-2869-11
Wiley ID 1231273