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6-(Methylthio)-3,4-dipropyl-2H-chromen-2-one
SpectraBase Compound ID H03q35p7OV9
InChI InChI=1S/C16H20O2S/c1-4-6-12-13(7-5-2)16(17)18-15-9-8-11(19-3)10-14(12)15/h8-10H,4-7H2,1-3H3
InChIKey CERBXZJTVNNHEL-UHFFFAOYSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HesG7hGgyKa
Name 6-(Methylthio)-3,4-dipropyl-2H-chromen-2-one
Carrier Gas Argon
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Formula C16H20O2S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C16H20O2S/c1-4-6-12-13(7-5-2)16(17)18-15-9-8-11(19-3)10-14(12)15/h8-10H,4-7H2,1-3H3
InChIKey CERBXZJTVNNHEL-UHFFFAOYSA-N
Instrument Name Agilent HP-5890
Ionization Type EI
Literature Reference DOI 10.1002/anie.201608715
Molecular Weight 276.394 g/mol
Quality 186
Reported Formula C16H20O2S
SMILES CSC1=CC2=C(C=C1)OC(C(=C2CCC)CCC)=O
SPLASH splash10-004i-0190000000-9580951e5024a964423b
Source of Spectrum ACI-55-SM12-3gh (DOI: 10.1002/anie.201608715)
Wiley ID 1901051