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2-Butyl-4-(1,3-dithian-2-yl)-3-methoxy-4-oxidanyl-cyclobut-2-en-1-one
SpectraBase Compound ID AR8zhDTo4wo
InChI InChI=1S/C13H20O3S2/c1-3-4-6-9-10(14)13(15,11(9)16-2)12-17-7-5-8-18-12/h12,15H,3-8H2,1-2H3
InChIKey BOYZRXYXBZSEKS-UHFFFAOYSA-N
Mol Weight 288.42 g/mol
Molecular Formula C13H20O3S2
Exact Mass 288.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqHS4LitS69
Name 2-Butyl-4-(1,3-dithian-2-yl)-3-methoxy-4-oxidanyl-cyclobut-2-en-1-one
Alternate Name(s) 2-Butyl-4-(1,3-dithian-2-yl)-4-hydroxy-3-methoxy-1-cyclobut-2-enone 2-Butyl-4-(1,3-dithian-2-yl)-4-hydroxy-3-methoxy-cyclobut-2-en-1-one
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Formula C13H20O3S2
InChI InChI=1S/C13H20O3S2/c1-3-4-6-9-10(14)13(15,11(9)16-2)12-17-7-5-8-18-12/h12,15H,3-8H2,1-2H3
InChIKey BOYZRXYXBZSEKS-UHFFFAOYSA-N
Molecular Weight 288.420 g/mol
SMILES OC1(C(OC)=C(C1=O)CCCC)C1SCCCS1
SPLASH splash10-0a59-0900000000-4ba4455d19e60c989062
Source of Spectrum J-60-737-14
Wiley ID 1291413