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Methyl 3-methyl-2-phenylsulphinylbutanoate
SpectraBase Compound ID J7W0GTXzvgw
InChI InChI=1S/C12H16O3S/c1-9(2)11(12(13)15-3)16(14)10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChIKey OCIHKLVULAYVIM-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lRqAv3uYXa
Name Methyl 3-methyl-2-phenylsulphinylbutanoate
Alternate Name(s) Methyl 3-methyl-2-(phenylsulfinyl)butanoate
CAS Registry Number 109328-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-9(2)11(12(13)15-3)16(14)10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChIKey OCIHKLVULAYVIM-UHFFFAOYSA-N
Molecular Weight 240.317 g/mol
SMILES C(S(=O)c1ccccc1)(C(=O)OC)C(C)C
SPLASH splash10-02di-0900000000-9822832cf29ca14046e2
Source of Spectrum KC-1986-1943-6
Wiley ID 1242635