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3-(pentylsulfonyl)thiophene
SpectraBase Compound ID 4H9Lk2nGAbp
InChI InChI=1S/C9H14O2S2/c1-2-3-4-7-13(10,11)9-5-6-12-8-9/h5-6,8H,2-4,7H2,1H3
InChIKey KXRHYVLJKDIYTL-UHFFFAOYSA-N
Mol Weight 218.33 g/mol
Molecular Formula C9H14O2S2
Exact Mass 218.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYxXzyw6xXR
Name 3-(pentylsulfonyl)thiophene
Appearance Colorless oil
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Exact Mass 218.043522037 u
Formula C9H14O2S2
InChI InChI=1S/C9H14O2S2/c1-2-3-4-7-13(10,11)9-5-6-12-8-9/h5-6,8H,2-4,7H2,1H3
InChIKey KXRHYVLJKDIYTL-UHFFFAOYSA-N
Instrument Name Shimazdu QP-5000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702892
Molecular Weight 218.329 g/mol
Quality 569
Reported Formula C9H14O2S2
SMILES C=1(S(CCCCC)(=O)=O)C=CSC1
SPLASH splash10-0002-5910000000-73f799237d4c878f5ad7
Source of Spectrum QE-23-SM9-5j (DOI: 10.1002/chem.201702892)
Thin-Layer Chromatography 0.23 (Hexane/AcOEt, 4:1)
Wiley ID 1905642