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2-(Bicyclo[1.1.1]pent-1-ylthio)acetic acid
SpectraBase Compound ID CU1W4I0VOGd
InChI InChI=1S/C7H10O2S/c8-6(9)4-10-7-1-5(2-7)3-7/h5H,1-4H2,(H,8,9)
InChIKey TWZAKYWDCHLBCP-UHFFFAOYSA-N
Mol Weight 158.21 g/mol
Molecular Formula C7H10O2S
Exact Mass 158.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGp1FYOoGF8
Name 2-(Bicyclo[1.1.1]pent-1-ylthio)acetic acid
Appearance Colourless oil
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Formula C7H10O2S
InChI InChI=1S/C7H10O2S/c8-6(9)4-10-7-1-5(2-7)3-7/h5H,1-4H2,(H,8,9)
InChIKey TWZAKYWDCHLBCP-UHFFFAOYSA-N
Instrument Name Finnigan-MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201704105
Molecular Weight 158.215 g/mol
Quality 130
Reported Formula C7H10O2(32)S
SMILES OC(CSC12CC(C2)C1)=O
SPLASH splash10-00kb-9000000000-98a01ede6571866842b1
Source of Spectrum QE-24-1380-9f (DOI: 10.1002/chem.201704105)
Thin-Layer Chromatography 0.20 (cyclohexane/EtOAc/trifluoroacetic acid, 10:1:0.01)
Wiley ID 1900348