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i-Propanesulphinic acid isobutyl ester
SpectraBase Compound ID HUgKRxOoGAq
InChI InChI=1S/C7H16O2S/c1-6(2)5-9-10(8)7(3)4/h6-7H,5H2,1-4H3
InChIKey URPYSMYTDDDMQV-UHFFFAOYSA-N
Mol Weight 164.26 g/mol
Molecular Formula C7H16O2S
Exact Mass 164.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHZRFw6ORyS
Name i-Propanesulphinic acid isobutyl ester
Alternate Name(s) isobutyl 2-propanesulfinate
Comments Less than 3 mono-isotopic peaks
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Formula C7H16O2S
InChI InChI=1S/C7H16O2S/c1-6(2)5-9-10(8)7(3)4/h6-7H,5H2,1-4H3
InChIKey URPYSMYTDDDMQV-UHFFFAOYSA-N
Molecular Weight 164.263 g/mol
SMILES C(OS(=O)C(C)C)C(C)C
SPLASH splash10-0006-9100000000-cea6d847b823962847e8
Source of Spectrum SO-0-253-3
Wiley ID 1539888