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Glutaric acid, 2-methylhex-3-yl 2-(methylthio)phenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylhex-3-yl 2-(methylthio)phenyl ester
SpectraBase Compound ID 8RoX5XlWLkp
InChI InChI=1S/C19H28O4S/c1-5-9-15(14(2)3)22-18(20)12-8-13-19(21)23-16-10-6-7-11-17(16)24-4/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3
InChIKey NXKKMLRRXUFKKZ-UHFFFAOYSA-N
Mol Weight 352.49 g/mol
Molecular Formula C19H28O4S
Exact Mass 352.170831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F45Fe4xV5AF
Name Glutaric acid, 2-methylhex-3-yl 2-(methylthio)phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.170830552 u
Formula C19H28O4S
InChI InChI=1S/C19H28O4S/c1-5-9-15(14(2)3)22-18(20)12-8-13-19(21)23-16-10-6-7-11-17(16)24-4/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3
InChIKey NXKKMLRRXUFKKZ-UHFFFAOYSA-N
Molecular Weight 352.489 g/mol
SMILES C(OC1=C(SC)C=CC=C1)(=O)CCCC(OC(CCC)C(C)C)=O